N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y502-9045 |
| Compound Name: | N-{1-[(3,4-dichlorophenyl)methyl]-1H-1,2,4-triazol-3-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C15 H10 Cl2 N8 O |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])n1cnc(NC(c2nc3ncccn3n2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8121 |
| logD: | 1.7003 |
| logSw: | -2.6536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.169 |
| InChI Key: | SREUJQMTJBRTEP-UHFFFAOYSA-N |