benzyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
benzyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
benzyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C550-0039 |
| Compound Name: | benzyl 5-methyl-7-(2-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C19 H16 N6 O4 |
| Smiles: | CC1=C(C(c2ccccc2[N+]([O-])=O)n2c(N1)nnn2)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9818 |
| logD: | 2.2454 |
| logSw: | -3.4349 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.405 |
| InChI Key: | IBWYCDCVGFTLMG-KRWDZBQOSA-N |