1-(4-methylphenyl)-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dihydropyridazine-3-carboxamide
Chemical Structure Depiction of
1-(4-methylphenyl)-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dihydropyridazine-3-carboxamide
1-(4-methylphenyl)-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dihydropyridazine-3-carboxamide
Compound characteristics
| Compound ID: | D223-0525 |
| Compound Name: | 1-(4-methylphenyl)-4-oxo-N-(3-{[(oxolan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dihydropyridazine-3-carboxamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C26 H28 N4 O4 S |
| Smiles: | [H]N(C(C1C(C=CN(c2ccc(C)cc2)N=1)=O)=O)c1c(C(NCC2CCCO2)=O)c2CCCCc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3945 |
| logD: | -0.5857 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.523 |
| InChI Key: | MXQSDGPCLVKKKC-GOSISDBHSA-N |