11-(2,3-dichlorophenyl)-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-(2,3-dichlorophenyl)-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2,3-dichlorophenyl)-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: | Y500-3481 |
| Compound Name: | 11-(2,3-dichlorophenyl)-10-hexanoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 485.45 |
| Molecular Formula: | C27 H30 Cl2 N2 O2 |
| Smiles: | CCCCCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccc(c1[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2811 |
| logD: | 7.1111 |
| logSw: | -6.4981 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.909 |
| InChI Key: | BYBNUCJSRXDEHK-SANMLTNESA-N |