methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Compound characteristics
| Compound ID: | D188-0149 |
| Compound Name: | methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate |
| Molecular Weight: | 480.28 |
| Molecular Formula: | C20 H14 Br N7 O3 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c(nnc2c2ccc(cc2)[Br])O)Nc2nnnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9021 |
| logD: | 2.9021 |
| logSw: | -3.3188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.939 |
| InChI Key: | OZDZPBIJENJISG-KRWDZBQOSA-N |