2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V017-3317 |
| Compound Name: | 2-{[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C19 H20 N4 O S2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(c2cccs2)nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0195 |
| logD: | 4.0187 |
| logSw: | -4.007 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.489 |
| InChI Key: | BGOHJLCZVAABPX-UHFFFAOYSA-N |