ethyl 1-ethyl-2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-3-carboxylate
ethyl 1-ethyl-2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1557 |
| Compound Name: | ethyl 1-ethyl-2,4-dimethyl-5-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 402.55 |
| Molecular Formula: | C22 H30 N2 O3 S |
| Smiles: | CCn1c(C)c(C(=O)OCC)c(C)c1CCC(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9192 |
| logD: | 3.9192 |
| logSw: | -4.1728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.396 |
| InChI Key: | HUDZMYJXLDMLJN-UHFFFAOYSA-N |