4-{11-[4-(methoxycarbonyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Chemical Structure Depiction of
4-{11-[4-(methoxycarbonyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
4-{11-[4-(methoxycarbonyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid
Compound characteristics
| Compound ID: | 4780-0135 |
| Compound Name: | 4-{11-[4-(methoxycarbonyl)phenyl]-1-oxo-3-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}-4-oxobutanoic acid |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C29 H26 N2 O6 S |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1C(CCC(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.279 |
| logD: | 1.3296 |
| logSw: | -4.1718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.213 |
| InChI Key: | QTLMVTVGDJFWIA-UHFFFAOYSA-N |