7-(3-nitrophenyl)-5-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
7-(3-nitrophenyl)-5-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
7-(3-nitrophenyl)-5-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-4502 |
| Compound Name: | 7-(3-nitrophenyl)-5-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 363.42 |
| Molecular Formula: | C20 H21 N5 O2 |
| Smiles: | CC(C)c1ccc(cc1)C1CC(c2cccc(c2)[N+]([O-])=O)n2c(N1)ncn2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6174 |
| logD: | 4.6174 |
| logSw: | -4.3564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.45 |
| InChI Key: | FGWRIIPIXKOPHG-UHFFFAOYSA-N |