2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V016-7038 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C19 H18 Cl N5 O S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CSc1nnc(c2cccnc2)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9596 |
| logD: | 2.9554 |
| logSw: | -3.373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.989 |
| InChI Key: | FTBQHERAZZAMNH-UHFFFAOYSA-N |