4-[3-(3-bromophenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[3-(3-bromophenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3-(3-bromophenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 8011-9912 |
| Compound Name: | 4-[3-(3-bromophenyl)-11-(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid |
| Molecular Weight: | 559.46 |
| Molecular Formula: | C30 H27 Br N2 O4 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)[Br])Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7503 |
| logD: | 2.8009 |
| logSw: | -5.2394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.021 |
| InChI Key: | WTLQHBFCCMRDFC-UHFFFAOYSA-N |