(15R,17R,19R)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene
PubChem CID: 13894860
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| Compound Synonyms | CHEMBL4078952 |
|---|---|
| Topological Polar Surface Area | 17.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 469.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (15R,17R,19R)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H26N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | BVWWUWXMEWKEMC-YZGWKJHDSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.75 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.981 |
| Compound Name | (15R,17R,19R)-15-ethyl-17-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.205 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.120999417391305 |
| Inchi | InChI=1S/C20H26N2O/c1-3-20-10-6-11-21-12-9-15-14-7-4-5-8-16(14)22(17(13-20)23-2)18(15)19(20)21/h4-5,7-8,17,19H,3,6,9-13H2,1-2H3/t17-,19+,20-/m1/s1 |
| Smiles | CC[C@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4[C@@H](C2)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hunteria Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients