methyl 5-ethyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 5-ethyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
methyl 5-ethyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | F103-0271 |
| Compound Name: | methyl 5-ethyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 330.3 |
| Molecular Formula: | C14 H14 N6 O4 |
| Smiles: | CCC1=C(C(c2cccc(c2)[N+]([O-])=O)n2c(N1)nnn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1312 |
| logD: | 0.944 |
| logSw: | -2.9422 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.629 |
| InChI Key: | FDOOAZFQFXJOJA-LBPRGKRZSA-N |