2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-N-(pyridin-3-yl)-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)-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0469 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(4-nitrophenyl)-N-(pyridin-3-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 534 |
| Molecular Formula: | C25 H20 Cl N7 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)nc(n2)SCc1ccccc1[Cl])C(Nc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0723 |
| logD: | 5.0717 |
| logSw: | -5.4106 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.49 |
| InChI Key: | VQZYMJOHQOOLAF-QFIPXVFZSA-N |