methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate
methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K788-9851 |
| Compound Name: | methyl 3-(3-{[2-(pyridin-2-yl)ethyl]sulfanyl}propanamido)thiophene-2-carboxylate |
| Molecular Weight: | 350.46 |
| Molecular Formula: | C16 H18 N2 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(CCSCCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2282 |
| logD: | 2.1934 |
| logSw: | -2.6577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.154 |
| InChI Key: | MTDCMIARCBRHRY-UHFFFAOYSA-N |