2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0884 |
| Compound Name: | 2-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(N3CCN(CC3)c3cc(C)ccc3C)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.7454 |
| logD: | 4.7454 |
| logSw: | -4.8035 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.717 |
| InChI Key: | PMXCISWBSJYPSX-UHFFFAOYSA-N |