2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0020 |
| Compound Name: | 2-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CC1c2c(C(N(CC(N3CCN(CC3)c3cc(C)ccc3C)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5366 |
| logD: | 4.5365 |
| logSw: | -4.433 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.739 |
| InChI Key: | XYMHKJCLEVGOPT-UHFFFAOYSA-N |