2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M183-0784 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | COc1ccc(CNC(CN2C(c3ccccc3C(=N2)N2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1688 |
| logD: | 3.1688 |
| logSw: | -3.4951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.583 |
| InChI Key: | CEOIHFDNJDUGIB-UHFFFAOYSA-N |