11-{2-[(butan-2-yl)oxy]phenyl}-10-hexanoyl-3,3-dimethyl-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}-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{2-[(butan-2-yl)oxy]phenyl}-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-5238 |
| Compound Name: | 11-{2-[(butan-2-yl)oxy]phenyl}-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 488.67 |
| Molecular Formula: | C31 H40 N2 O3 |
| Smiles: | CCCCCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccccc1OC(C)CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4901 |
| logD: | 7.2602 |
| logSw: | -5.5848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.681 |
| InChI Key: | MDYYBDCIRXDYDJ-UHFFFAOYSA-N |