3-{5-(4-chlorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-(4-chlorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
3-{5-(4-chlorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0106 |
| Compound Name: | 3-{5-(4-chlorophenyl)-1-[2-(4-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C22 H21 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)NC(Cn1c(CCC(O)=O)ccc1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0761 |
| logD: | 2.2623 |
| logSw: | -5.0409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.185 |
| InChI Key: | VZPGRUGHABBTPN-UHFFFAOYSA-N |