N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1077 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | CCN(CCCNC(CCCN1C(c2c3ccccc3sc2C(C)=N1)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2367 |
| logD: | 4.2044 |
| logSw: | -4.1962 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.668 |
| InChI Key: | KNUZCOKXKCVNRC-UHFFFAOYSA-N |