N-(3-chloro-4-methylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
N-(3-chloro-4-methylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-6752 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C15 H14 Cl N5 O2 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6609 |
| logD: | 2.6448 |
| logSw: | -3.4685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.846 |
| InChI Key: | HCOJDLFHLBGYMG-UHFFFAOYSA-N |