(1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6,14-dione
PubChem CID: 145978685
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4203187 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6,14-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C15H22N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKXYWLYBNNOCEU-BLTAXRJOSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -1.255 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.344 |
| Compound Name | (1R,2R,9R,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6,14-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.168 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8571885999999995 |
| Inchi | InChI=1S/C15H22N2O2/c18-13-5-1-4-12-11-6-7-14(19)16-8-2-3-10(15(11)16)9-17(12)13/h10-12,15H,1-9H2/t10-,11-,12-,15+/m1/s1 |
| Smiles | C1C[C@@H]2[C@H]3CCC(=O)N4[C@H]3[C@H](CCC4)CN2C(=O)C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients