10-acetyl-3,3-dimethyl-11-{4-[(propan-2-yl)oxy]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-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y500-5182 |
| Compound Name: | 10-acetyl-3,3-dimethyl-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C26 H30 N2 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6865 |
| logD: | 4.4567 |
| logSw: | -4.3658 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.707 |
| InChI Key: | IEYJYRCXCDUMSQ-VWLOTQADSA-N |