methyl 2-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
methyl 2-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M183-1462 |
| Compound Name: | methyl 2-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C(c2ccccc2C(=N1)N1CCSCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2622 |
| logD: | 2.2558 |
| logSw: | -3.0022 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.862 |
| InChI Key: | PLFSDPYDKFHHLO-UHFFFAOYSA-N |