2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0470 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 456.91 |
| Molecular Formula: | C20 H17 Cl N6 O3 S |
| Smiles: | [H]N([H])C(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9423 |
| logD: | 3.9407 |
| logSw: | -4.3415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.94 |
| InChI Key: | SQBGWNFQDYLWRZ-KRWDZBQOSA-N |