8-(3-nitrophenyl)-9-[4-(propan-2-yl)phenyl]-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Chemical Structure Depiction of
8-(3-nitrophenyl)-9-[4-(propan-2-yl)phenyl]-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
8-(3-nitrophenyl)-9-[4-(propan-2-yl)phenyl]-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Compound characteristics
| Compound ID: | D402-0107 |
| Compound Name: | 8-(3-nitrophenyl)-9-[4-(propan-2-yl)phenyl]-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C21 H18 N8 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1c2c(c(nnc2c2cccc(c2)[N+]([O-])=O)O)Nc2nnnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.348 |
| logD: | 3.348 |
| logSw: | -3.51 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.147 |
| InChI Key: | MQRRYLSNWWNCDS-IBGZPJMESA-N |