methyl 4-[5-hydroxy-8-(3-methoxyphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-hydroxy-8-(3-methoxyphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
methyl 4-[5-hydroxy-8-(3-methoxyphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Compound characteristics
| Compound ID: | D402-0142 |
| Compound Name: | methyl 4-[5-hydroxy-8-(3-methoxyphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate |
| Molecular Weight: | 431.41 |
| Molecular Formula: | C21 H17 N7 O4 |
| Smiles: | COC(c1ccc(cc1)C1c2c(c(nnc2c2cccc(c2)OC)O)Nc2nnnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2168 |
| logD: | 2.2168 |
| logSw: | -2.8576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.483 |
| InChI Key: | OFXQHHVSOKWWSL-SFHVURJKSA-N |