2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V031-1237 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 336.84 |
| Molecular Formula: | C15 H17 Cl N4 O S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)[Cl])SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2913 |
| logD: | 2.2912 |
| logSw: | -3.0693 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.52 |
| InChI Key: | VPFVQFNGGJMJCB-UHFFFAOYSA-N |