butyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
butyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
butyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0262 |
| Compound Name: | butyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C16 H18 N6 O4 |
| Smiles: | CCCCOC(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9465 |
| logD: | 1.9899 |
| logSw: | -3.2668 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.896 |
| InChI Key: | KQBOKXSMTVRXGT-AWEZNQCLSA-N |