3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8792 |
| Compound Name: | 3,3-dimethyl-10-propanoyl-11-[(2,2,3-trimethylcyclopent-3-en-1-yl)methyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 420.6 |
| Molecular Formula: | C27 H36 N2 O2 |
| Smiles: | CCC(N1C(CC2CC=C(C)C2(C)C)C2=C(CC(C)(C)CC2=O)Nc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9435 |
| logD: | 5.3482 |
| logSw: | -5.5236 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.419 |
| InChI Key: | UNOQSTZPCVOPNP-UHFFFAOYSA-N |