1-(5-methylfuran-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(5-methylfuran-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(5-methylfuran-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8014-2578 |
| Compound Name: | 1-(5-methylfuran-2-yl)-2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C14 H13 N3 O2 S2 |
| Smiles: | Cc1ccc(C(CSc2nnc(c3cccs3)n2C)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9545 |
| logD: | 2.9544 |
| logSw: | -3.1091 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.409 |
| InChI Key: | AAHHTLQERBOQHF-UHFFFAOYSA-N |