propan-2-yl 4-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}benzoate
propan-2-yl 4-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y505-2819 |
| Compound Name: | propan-2-yl 4-{[5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carbonyl]amino}benzoate |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C22 H18 N6 O5 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9261 |
| logD: | 3.9258 |
| logSw: | -4.1277 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.627 |
| InChI Key: | UNVAPHIJEZJYCM-UHFFFAOYSA-N |