3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 5637-0008 |
| Compound Name: | 3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(4-fluorophenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 442.89 |
| Molecular Formula: | C22 H16 Cl F N2 O3 S |
| Smiles: | C(Cc1ccc(c2ccc(cc2)F)n1NC(c1c(c2ccccc2s1)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3606 |
| logD: | 2.5468 |
| logSw: | -5.5343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.133 |
| InChI Key: | WTMARJRNPIIQLC-UHFFFAOYSA-N |