methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8015-9658 |
| Compound Name: | methyl 4,5-dimethoxy-2-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C21 H22 N4 O5 S2 |
| Smiles: | COC(c1cc(c(cc1NC(CSc1nnc(c2cccs2)n1CC=C)=O)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1617 |
| logD: | 2.9448 |
| logSw: | -3.4127 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.124 |
| InChI Key: | XSOPZXAZDNWCOS-UHFFFAOYSA-N |