3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid
Chemical Structure Depiction of
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid
Compound characteristics
| Compound ID: | 8015-3135 |
| Compound Name: | 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid |
| Molecular Weight: | 404.83 |
| Molecular Formula: | C18 H13 Cl N2 O5 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)NC(c1c(c2ccccc2s1)[Cl])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8939 |
| logD: | 1.2561 |
| logSw: | -4.3608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.794 |
| InChI Key: | WBZZLPSIKRXNBE-ZDUSSCGKSA-N |