methyl 4-(5-hydroxy-8-phenyl-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-hydroxy-8-phenyl-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl)benzoate
methyl 4-(5-hydroxy-8-phenyl-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl)benzoate
Compound characteristics
| Compound ID: | D188-0021 |
| Compound Name: | methyl 4-(5-hydroxy-8-phenyl-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl)benzoate |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C20 H15 N7 O3 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c(nnc2c2ccccc2)O)Nc2nnnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9631 |
| logD: | 1.9631 |
| logSw: | -2.404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.939 |
| InChI Key: | BTLXLNHTKGDUTG-KRWDZBQOSA-N |