5-(3-nitrophenyl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
5-(3-nitrophenyl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
5-(3-nitrophenyl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2973 |
| Compound Name: | 5-(3-nitrophenyl)-N-{1-[4-(propan-2-yl)phenyl]ethyl}[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | CC(C)c1ccc(cc1)C(C)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5232 |
| logD: | 4.5232 |
| logSw: | -4.4021 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.68 |
| InChI Key: | WRNXTUZUJDAEEP-HNNXBMFYSA-N |