N-(1-benzylpiperidin-4-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-(1-benzylpiperidin-4-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1023 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(NC3CCN(CC3)Cc3ccccc3)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.495 |
| logD: | 1.9372 |
| logSw: | -3.9657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.102 |
| InChI Key: | JOCCNRPJHCRLDN-UHFFFAOYSA-N |