N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
Compound ID: | E019-1107 |
Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
Molecular Weight: | 490.67 |
Molecular Formula: | C28 H34 N4 O2 S |
Smiles: | CC(C)N(CCCNC(CCCN1C(c2c3ccccc3sc2C(C)=N1)=O)=O)Cc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 3.8555 |
logD: | 1.8518 |
logSw: | -4.1146 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.275 |
InChI Key: | RCDZZMKARCIQJI-UHFFFAOYSA-N |