methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | 3338-2698 |
| Compound Name: | methyl 5-methyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 316.27 |
| Molecular Formula: | C13 H12 N6 O4 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nnn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5213 |
| logD: | 0.5647 |
| logSw: | -2.2558 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.022 |
| InChI Key: | KLYPXVWAKFQJOO-NSHDSACASA-N |