3-{5-(4-chlorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-(4-chlorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
3-{5-(4-chlorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | D135-0111 |
| Compound Name: | 3-{5-(4-chlorophenyl)-1-[2-(2-methylanilino)-2-oxoethyl]-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 396.87 |
| Molecular Formula: | C22 H21 Cl N2 O3 |
| Smiles: | Cc1ccccc1NC(Cn1c(CCC(O)=O)ccc1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4476 |
| logD: | 1.6338 |
| logSw: | -4.4989 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.488 |
| InChI Key: | RBJVQGMTPQHWKV-UHFFFAOYSA-N |