9-(2,5-dimethoxyphenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Chemical Structure Depiction of
9-(2,5-dimethoxyphenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
9-(2,5-dimethoxyphenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Compound characteristics
| Compound ID: | D402-0111 |
| Compound Name: | 9-(2,5-dimethoxyphenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol |
| Molecular Weight: | 448.4 |
| Molecular Formula: | C20 H16 N8 O5 |
| Smiles: | COc1ccc(c(c1)C1c2c(c(nnc2c2cccc(c2)[N+]([O-])=O)O)Nc2nnnn12)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1903 |
| logD: | 2.1903 |
| logSw: | -2.6781 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.321 |
| InChI Key: | IRQZKKNNNDBJMP-SFHVURJKSA-N |