ethyl 1,3,5-trimethyl-4-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1,3,5-trimethyl-4-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-2-carboxylate
ethyl 1,3,5-trimethyl-4-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0821 |
| Compound Name: | ethyl 1,3,5-trimethyl-4-[3-({[4-(methylsulfanyl)phenyl]methyl}amino)-3-oxopropyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CCOC(c1c(C)c(CCC(NCc2ccc(cc2)SC)=O)c(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4738 |
| logD: | 3.4738 |
| logSw: | -3.7189 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47 |
| InChI Key: | MBIFFFQBMYTBJF-UHFFFAOYSA-N |