methyl 4-[5-hydroxy-8-(4-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-hydroxy-8-(4-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
methyl 4-[5-hydroxy-8-(4-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Compound characteristics
| Compound ID: | D402-0082 |
| Compound Name: | methyl 4-[5-hydroxy-8-(4-nitrophenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate |
| Molecular Weight: | 446.38 |
| Molecular Formula: | C20 H14 N8 O5 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c(nnc2c2ccc(cc2)[N+]([O-])=O)O)Nc2nnnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9938 |
| logD: | 1.9938 |
| logSw: | -2.5315 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 144.321 |
| InChI Key: | GYEITBOIELIPEE-KRWDZBQOSA-N |