2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V018-0937 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 412.94 |
| Molecular Formula: | C21 H21 Cl N4 O S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4222 |
| logD: | 4.4221 |
| logSw: | -4.5656 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.17 |
| InChI Key: | YBDYZKWMFQWRGK-UHFFFAOYSA-N |