heptyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0603 |
| Compound Name: | heptyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 400.44 |
| Molecular Formula: | C19 H24 N6 O4 |
| Smiles: | CCCCCCCOC(C1C(c2ccccc2[N+]([O-])=O)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4347 |
| logD: | 3.4781 |
| logSw: | -4.3393 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.595 |
| InChI Key: | HBJRJAKJRMEDPZ-KRWDZBQOSA-N |