11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 2716-4374 |
| Compound Name: | 11-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 509.83 |
| Molecular Formula: | C26 H22 Br Cl N2 O2 |
| Smiles: | COc1ccc(cc1C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8856 |
| logD: | 6.8693 |
| logSw: | -6.5302 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.107 |
| InChI Key: | GJVIAGAUPRGYFR-UHFFFAOYSA-N |