2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V012-6250 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 398.91 |
| Molecular Formula: | C20 H19 Cl N4 O S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9415 |
| logD: | 3.9415 |
| logSw: | -4.3408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.471 |
| InChI Key: | ROWXVIYSKWNMOV-UHFFFAOYSA-N |