methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8015-9966 |
| Compound Name: | methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C18 H17 N5 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSc1nnc(c2cccnc2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.979 |
| logD: | 1.9375 |
| logSw: | -1.8797 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.381 |
| InChI Key: | MPIOXPIOGKALDC-UHFFFAOYSA-N |