4-(3,3-dimethyl-1-oxo-11-phenyl-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-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-4-oxobutanoic acid
4-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | J024-0550 |
| Compound Name: | 4-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-4-oxobutanoic acid |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4543 |
| logD: | 0.5049 |
| logSw: | -3.6803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.293 |
| InChI Key: | TXFALCZEROYVKC-DEOSSOPVSA-N |