4-oxo-4-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid
Chemical Structure Depiction of
4-oxo-4-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid
4-oxo-4-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid
Compound characteristics
| Compound ID: | J024-0558 |
| Compound Name: | 4-oxo-4-[1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | C1CC2=C(C(c3cccs3)N(C(CCC(O)=O)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4687 |
| logD: | -0.4807 |
| logSw: | -2.7826 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.311 |
| InChI Key: | ZUQORNFFLPDYLV-NRFANRHFSA-N |