methyl 4-{2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M183-0158 |
| Compound Name: | methyl 4-{2-[1-oxo-4-(pyrrolidin-1-yl)phthalazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C22 H22 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(c2ccccc2C(=N1)N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.95 |
| logD: | 2.9499 |
| logSw: | -3.4843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.926 |
| InChI Key: | QPYWMMBNMBFKQA-UHFFFAOYSA-N |