11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-9935 |
| Compound Name: | 11-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 525.83 |
| Molecular Formula: | C26 H22 Br Cl N2 O3 |
| Smiles: | COc1cc(cc(c1O)[Br])C1C2=C(CC(CC2=O)c2ccccc2[Cl])Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7886 |
| logD: | 5.7474 |
| logSw: | -5.5653 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.586 |
| InChI Key: | KXVLSZFRRBZWIB-UHFFFAOYSA-N |