methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-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-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8016-0879 |
| Compound Name: | methyl 3-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C17 H16 N4 O3 S3 |
| Smiles: | COC(c1c(ccs1)NC(CSc1nnc(c2cccs2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.18 |
| logD: | 3.1509 |
| logSw: | -3.3373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.881 |
| InChI Key: | JWSZPOBZGZHNNB-UHFFFAOYSA-N |