8-(furan-2-yl)-9-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Chemical Structure Depiction of
8-(furan-2-yl)-9-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
8-(furan-2-yl)-9-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Compound characteristics
| Compound ID: | D402-0189 |
| Compound Name: | 8-(furan-2-yl)-9-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol |
| Molecular Weight: | 378.3 |
| Molecular Formula: | C16 H10 N8 O4 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)C1c2c(c(nnc2c2ccco2)O)Nc2nnnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0612 |
| logD: | 1.0612 |
| logSw: | -1.8283 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 131.725 |
| InChI Key: | XCKCTEBLXDEUCG-AWEZNQCLSA-N |