propan-2-yl 4-(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
propan-2-yl 4-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
propan-2-yl 4-(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: | 8013-1696 |
| Compound Name: | propan-2-yl 4-(2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CSc1nnc(c2cccs2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4572 |
| logD: | 4.4571 |
| logSw: | -4.1892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.82 |
| InChI Key: | FETGTADJWBXPAL-UHFFFAOYSA-N |