11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3552 |
| Compound Name: | 11-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-methylphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C27 H25 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3cc(c(c(c3)[Cl])O)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.096 |
| logD: | 6.0575 |
| logSw: | -5.7669 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.586 |
| InChI Key: | QEZNAQIFPZSAKI-UHFFFAOYSA-N |