methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[1-oxo-4-(thiomorpholin-4-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M183-1454 |
| Compound Name: | methyl 4-{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(c1ccc(cc1)NC(CN1C(c2ccccc2C(=N1)N1CCSCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6283 |
| logD: | 2.6283 |
| logSw: | -3.2958 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.56 |
| InChI Key: | BSVZULJQDKPIEA-UHFFFAOYSA-N |