10-benzoyl-11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-benzoyl-11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-benzoyl-11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-5240 |
| Compound Name: | 10-benzoyl-11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 494.63 |
| Molecular Formula: | C32 H34 N2 O3 |
| Smiles: | CCC(C)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8233 |
| logD: | 6.796 |
| logSw: | -5.7781 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.937 |
| InChI Key: | ZRDIVPJEBHQCGH-UHFFFAOYSA-N |