5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K784-4849 |
| Compound Name: | 5,7-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C14 H13 N5 O2 S |
| Smiles: | Cc1cc(C)n2c(n1)nc(n2)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2814 |
| logD: | 2.2813 |
| logSw: | -2.4639 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.662 |
| InChI Key: | DDCZFLUAIWHZKF-UHFFFAOYSA-N |