5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1349 |
| Compound Name: | 5-methyl-2-(propan-2-yl)cyclohexyl 5-methyl-7-(4-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CC1CCC(C(C)C)C(C1)OC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c(NC=1C)nnn2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2369 |
| logD: | 4.2803 |
| logSw: | -5.066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.875 |
| InChI Key: | PETDXQJVMLUHAJ-UHFFFAOYSA-N |