11-(2-chlorophenyl)-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(2-chlorophenyl)-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2-chlorophenyl)-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4687 |
| Compound Name: | 11-(2-chlorophenyl)-3-(4-methoxyphenyl)-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 515.05 |
| Molecular Formula: | C31 H31 Cl N2 O3 |
| Smiles: | CC(C)CC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)OC)Nc2ccccc12)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1344 |
| logD: | 6.892 |
| logSw: | -6.4301 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.181 |
| InChI Key: | VQMQBZHHGLPEHF-UHFFFAOYSA-N |