3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
Chemical Structure Depiction of
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid
Compound characteristics
| Compound ID: | 8015-6812 |
| Compound Name: | 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(2-chloro-5-nitrophenyl)propanoic acid |
| Molecular Weight: | 439.27 |
| Molecular Formula: | C18 H12 Cl2 N2 O5 S |
| Smiles: | C(C(c1cc(ccc1[Cl])[N+]([O-])=O)NC(c1c(c2ccccc2s1)[Cl])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6649 |
| logD: | 2.0271 |
| logSw: | -4.6678 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.794 |
| InChI Key: | LIXIXQZUYCNHSX-ZDUSSCGKSA-N |