3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 5637-0007 |
| Compound Name: | 3-{1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-(thiophen-2-yl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C20 H15 Cl N2 O3 S2 |
| Smiles: | C(Cc1ccc(c2cccs2)n1NC(c1c(c2ccccc2s1)[Cl])=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9955 |
| logD: | 2.1817 |
| logSw: | -4.5659 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.151 |
| InChI Key: | NNUHONHRXJDIQI-UHFFFAOYSA-N |