5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0255 |
| Compound Name: | 5-methyl-2-(methylsulfanyl)-7-(3-nitrophenyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nc(n2)SC)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7611 |
| logD: | 3.7602 |
| logSw: | -4.0036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.244 |
| InChI Key: | BXQFELZEKOQWHH-KRWDZBQOSA-N |