11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-0954 |
| Compound Name: | 11-{2-[(butan-2-yl)oxy]phenyl}-3,3-dimethyl-10-propanoyl-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: | CCC(C)Oc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.03 |
| logD: | 5.8002 |
| logSw: | -5.5413 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.681 |
| InChI Key: | BELHMXOTTYPSEN-UHFFFAOYSA-N |