6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | 8016-2018 |
| Compound Name: | 6-benzoyl-7-(3-nitrophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C18 H12 N6 O5 |
| Smiles: | c1ccc(cc1)C(C1C(c2cccc(c2)[N+]([O-])=O)n2c(NC=1C(O)=O)nnn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9249 |
| logD: | -3.2465 |
| logSw: | -2.6433 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 128.225 |
| InChI Key: | OEKGIMWDHZWKNK-HNNXBMFYSA-N |