10-acetyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-3497 |
| Compound Name: | 10-acetyl-3,3-dimethyl-11-[4-(pentyloxy)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C28 H34 N2 O3 |
| Smiles: | CCCCCOc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0025 |
| logD: | 5.7726 |
| logSw: | -5.3297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.322 |
| InChI Key: | BZFSOUBHLWUHFZ-MHZLTWQESA-N |