methyl 4-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
methyl 4-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M183-0734 |
| Compound Name: | methyl 4-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6994 |
| logD: | 3.6994 |
| logSw: | -3.8521 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.891 |
| InChI Key: | ZFAYZYNRPQSMIX-UHFFFAOYSA-N |