ethyl 2-(benzylsulfanyl)-5-methyl-7-(1-methyl-6-nitro-1H-benzimidazol-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(benzylsulfanyl)-5-methyl-7-(1-methyl-6-nitro-1H-benzimidazol-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(benzylsulfanyl)-5-methyl-7-(1-methyl-6-nitro-1H-benzimidazol-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0555 |
| Compound Name: | ethyl 2-(benzylsulfanyl)-5-methyl-7-(1-methyl-6-nitro-1H-benzimidazol-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 505.55 |
| Molecular Formula: | C24 H23 N7 O4 S |
| Smiles: | CCOC(C1C(c2nc3ccc(cc3n2C)[N+]([O-])=O)n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4856 |
| logD: | 4.3014 |
| logSw: | -4.3479 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.645 |
| InChI Key: | HDROSSPYSGSSCK-HXUWFJFHSA-N |