ethyl 3-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
ethyl 3-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M183-0743 |
| Compound Name: | ethyl 3-{2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]acetamido}benzoate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3907 |
| logD: | 4.3907 |
| logSw: | -4.0825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.471 |
| InChI Key: | AXLDTESYXZZOTD-UHFFFAOYSA-N |