4-[3,11-bis(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-[3,11-bis(4-methylphenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4-[3,11-bis(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: | 5236-0182 |
| Compound Name: | 4-[3,11-bis(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: | 494.59 |
| Molecular Formula: | C31 H30 N2 O4 |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3ccc(C)cc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4936 |
| logD: | 2.5442 |
| logSw: | -5.2756 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.021 |
| InChI Key: | PXELCBLMZRZSRH-UHFFFAOYSA-N |