8,9-bis(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Chemical Structure Depiction of
8,9-bis(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
8,9-bis(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Compound characteristics
| Compound ID: | D402-0100 |
| Compound Name: | 8,9-bis(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol |
| Molecular Weight: | 433.34 |
| Molecular Formula: | C18 H11 N9 O5 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1c2c(c(nnc2c2cccc(c2)[N+]([O-])=O)O)Nc2nnnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8822 |
| logD: | 1.8822 |
| logSw: | -2.1824 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 156.528 |
| InChI Key: | IGYUFKCIYCLSLC-INIZCTEOSA-N |