1-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
1-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | P076-1327 |
| Compound Name: | 1-ethyl-N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C20 H21 N3 O S |
| Smiles: | CCn1cc(cc1C(NCc1ccc(cc1)SC)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6667 |
| logD: | 3.6618 |
| logSw: | -3.7053 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.287 |
| InChI Key: | XNFDEMMJZBMKPU-UHFFFAOYSA-N |