This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide

PubChem CID: 101938440

Connections displayed (default: 10).
Loading graph...

Topological Polar Surface Area 32.299
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 27.0
Isotope Atom Count 0.0
Molecular Complexity 563.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 9.0
Iupac Name N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide
Prediction Hob 0.0
Xlogp 5.9
Molecular Formula C24H42N2O
Prediction Swissadme 0.0
Inchi Key ZROQUMPZTDXHBC-NLGFINLOSA-N
Fcsp3 0.9583333333333334
Logs -2.973
Rotatable Bond Count 3.0
Logd 4.504
Compound Name N-[(3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]formamide
Prediction Hob Swissadme 0.0
Exact Mass 374.33
Formal Charge 0.0
Monoisotopic Mass 374.33
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 374.6
Covalent Unit Count 1.0
Total Atom Stereocenter Count 9.0
Total Bond Stereocenter Count 0.0
Esol -5.8958006
Inchi InChI=1S/C24H42N2O/c1-16(26(4)5)20-8-9-21-19-7-6-17-14-18(25-15-27)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-22H,6-14H2,1-5H3,(H,25,27)/t16-,17-,18-,19-,20+,21-,22-,23-,24+/m0/s1
Smiles C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)NC=O)C)C)N(C)C
Nring 4.0
Defined Bond Stereocenter Count 0.0