propan-2-yl 6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
propan-2-yl 6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Compound characteristics
| Compound ID: | C202-1116 |
| Compound Name: | propan-2-yl 6-[(2,4-dimethylphenyl)carbamoyl]-5-methyl-7-(3-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C25 H26 N6 O5 |
| Smiles: | CC(C)OC(c1nc2NC(C)=C(C(c3cccc(c3)[N+]([O-])=O)n2n1)C(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6047 |
| logD: | 4.5916 |
| logSw: | -4.3686 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.257 |
| InChI Key: | HJFOHNDZKRHLMN-NRFANRHFSA-N |