N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-8084 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[7-methyl-5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc(C)cc2nnc(n12)SCC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7906 |
| logD: | 3.9648 |
| logSw: | -4.9563 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.635 |
| InChI Key: | YTXSFYBACFFHDB-UHFFFAOYSA-N |