N-(3-chlorophenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(3-chlorophenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D718-0685 |
| Compound Name: | N-(3-chlorophenyl)-2-[(5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 347.82 |
| Molecular Formula: | C15 H14 Cl N5 O S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6232 |
| logD: | 2.6231 |
| logSw: | -3.4598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.803 |
| InChI Key: | XLXYDEXPQZLIPF-UHFFFAOYSA-N |