5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1352 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C23 H29 N5 O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(C1C(c2ccccc2[N+]([O-])=O)n2c(NC=1C)ncn2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4701 |
| logD: | 5.1818 |
| logSw: | -5.3938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.097 |
| InChI Key: | MXCAHEBFGHVXDZ-UHFFFAOYSA-N |