1-[11-(3-chlorophenyl)-3-(4-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Chemical Structure Depiction of
1-[11-(3-chlorophenyl)-3-(4-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
1-[11-(3-chlorophenyl)-3-(4-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one
Compound characteristics
| Compound ID: | F019-0953 |
| Compound Name: | 1-[11-(3-chlorophenyl)-3-(4-chlorophenyl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]propan-1-one |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C28 H24 Cl2 N2 O2 |
| Smiles: | CCC(N1C(C2=C(CC(CC2=Nc2ccccc12)c1ccc(cc1)[Cl])O)c1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2988 |
| logD: | 6.2974 |
| logSw: | -6.0497 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.758 |
| InChI Key: | XEWSGFCXLOZCRO-UHFFFAOYSA-N |