N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C696-1204 |
| Compound Name: | N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-{1-oxo-4-[(pyridin-3-yl)methyl]phthalazin-2(1H)-yl}acetamide |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CN1C(c3ccccc3C(Cc3cccnc3)=N1)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.724 |
| logD: | 3.7116 |
| logSw: | -3.7642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.651 |
| InChI Key: | PLVDHWKRUOPSHU-UHFFFAOYSA-N |