9-(4-bromophenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Chemical Structure Depiction of
9-(4-bromophenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
9-(4-bromophenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
Compound characteristics
| Compound ID: | D402-0105 |
| Compound Name: | 9-(4-bromophenyl)-8-(3-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol |
| Molecular Weight: | 467.24 |
| Molecular Formula: | C18 H11 Br N8 O3 |
| Smiles: | c1cc(cc(c1)[N+]([O-])=O)c1c2C(c3ccc(cc3)[Br])n3c(Nc2c(nn1)O)nnn3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8437 |
| logD: | 2.8437 |
| logSw: | -3.1988 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.147 |
| InChI Key: | AODXVBIEFJTRMD-INIZCTEOSA-N |