2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C202-1101 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(4-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 561.06 |
| Molecular Formula: | C28 H25 Cl N6 O3 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c(N1)nc(n2)SCc1cccc(c1)[Cl])C(Nc1ccc(C)cc1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8263 |
| logD: | 6.8257 |
| logSw: | -6.4283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.274 |
| InChI Key: | BBYLWWIFGGUWTO-VWLOTQADSA-N |