ethyl 1-[4-(5-chloro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(5-chloro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
ethyl 1-[4-(5-chloro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3199 |
| Compound Name: | ethyl 1-[4-(5-chloro-2-methylanilino)-4-oxobutyl]-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 438.95 |
| Molecular Formula: | C25 H27 Cl N2 O3 |
| Smiles: | CCOC(c1cc(c2ccc(C)cc2)n(CCCC(Nc2cc(ccc2C)[Cl])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3216 |
| logD: | 5.3178 |
| logSw: | -5.8153 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.633 |
| InChI Key: | XREDUIHFGVJRTD-UHFFFAOYSA-N |