N-(4-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | Y020-7899 |
| Compound Name: | N-(4-chlorophenyl)-2-[(cyanomethyl)sulfanyl]-7-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 358.81 |
| Molecular Formula: | C15 H11 Cl N6 O S |
| Smiles: | Cc1c(cnc2nc(nn12)SCC#N)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0267 |
| logD: | 2.0182 |
| logSw: | -3.1162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.626 |
| InChI Key: | MZEDNXMVCCBVEL-UHFFFAOYSA-N |