4-[3,3-dimethyl-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-dimethyl-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-dimethyl-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: | J024-0551 |
| Compound Name: | 4-[3,3-dimethyl-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: | 432.52 |
| Molecular Formula: | C26 H28 N2 O4 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(CCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8734 |
| logD: | 0.924 |
| logSw: | -4.013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.293 |
| InChI Key: | UWCGSSAXVGVYTG-VWLOTQADSA-N |