ethyl 1-[4-(3-acetylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-(3-acetylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[4-(3-acetylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-3228 |
| Compound Name: | ethyl 1-[4-(3-acetylanilino)-4-oxobutyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C26 H28 N2 O4 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCCC(Nc2cccc(c2)C(C)=O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3597 |
| logD: | 4.3582 |
| logSw: | -4.18 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.626 |
| InChI Key: | XBDDNVLCYGFFIT-UHFFFAOYSA-N |