methyl 4-[8-(3,4-dimethoxyphenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-(3,4-dimethoxyphenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
methyl 4-[8-(3,4-dimethoxyphenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Compound characteristics
| Compound ID: | D402-0171 |
| Compound Name: | methyl 4-[8-(3,4-dimethoxyphenyl)-5-hydroxy-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate |
| Molecular Weight: | 461.44 |
| Molecular Formula: | C22 H19 N7 O5 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c(nnc2c2ccc(c(c2)OC)OC)O)Nc2nnnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7789 |
| logD: | 1.7789 |
| logSw: | -2.1842 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 126.2 |
| InChI Key: | GNBQUJYMTLOHHF-IBGZPJMESA-N |