N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0252 |
| Compound Name: | N-(4-chlorophenyl)-5-methyl-2-(methylsulfanyl)-7-(3-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: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nc(n2)SC)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5475 |
| logD: | 4.5466 |
| logSw: | -4.8448 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.244 |
| InChI Key: | LJPPXNZRJUZKLD-KRWDZBQOSA-N |