2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | M183-0739 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | C1CCCN(CC1)C1c2ccccc2C(N(CC(Nc2ccc3c(c2)OCCO3)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5812 |
| logD: | 2.5812 |
| logSw: | -3.2584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.541 |
| InChI Key: | NRMDGKUDROPBDL-UHFFFAOYSA-N |