methyl 4-[5-hydroxy-8-(4-methylphenyl)-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-methylphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
methyl 4-[5-hydroxy-8-(4-methylphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
Compound characteristics
| Compound ID: | D188-0053 |
| Compound Name: | methyl 4-[5-hydroxy-8-(4-methylphenyl)-4,9-dihydrotetrazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate |
| Molecular Weight: | 415.41 |
| Molecular Formula: | C21 H17 N7 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(c3ccc(cc3)C(=O)OC)n3c(Nc2c(nn1)O)nnn3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4916 |
| logD: | 2.4916 |
| logSw: | -2.794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.939 |
| InChI Key: | XVRFRDTVJHXIJW-SFHVURJKSA-N |