N-[(3-methoxyphenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
N-[(3-methoxyphenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide
Compound characteristics
| Compound ID: | E019-1011 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-4-(4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl)butanamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | CC1c2c(C(N(CCCC(NCc3cccc(c3)OC)=O)N=1)=O)c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.344 |
| logD: | 3.344 |
| logSw: | -3.7498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.38 |
| InChI Key: | NEPCTPJQIWLWER-UHFFFAOYSA-N |