methyl 6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
methyl 6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8013-5690 |
| Compound Name: | methyl 6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate |
| Molecular Weight: | 406.36 |
| Molecular Formula: | C19 H14 N6 O5 |
| Smiles: | COC(C1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nnn2)C(c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6164 |
| logD: | 1.8424 |
| logSw: | -3.2291 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.99 |
| InChI Key: | UMQGYOWUFGRDHA-INIZCTEOSA-N |