2-[4-(azepan-1-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
2-[4-(azepan-1-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one
Compound characteristics
| Compound ID: | E019-0872 |
| Compound Name: | 2-[4-(azepan-1-yl)-4-oxobutyl]-4-methyl[1]benzothieno[2,3-d]pyridazin-1(2H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CC1c2c(C(N(CCCC(N3CCCCCC3)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.4481 |
| logD: | 3.4481 |
| logSw: | -3.7618 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.089 |
| InChI Key: | PWWQWWOQQISHQG-UHFFFAOYSA-N |