2-[(azepan-1-yl)methyl]-7,8-dimethoxyphthalazin-1(2H)-one
Chemical Structure Depiction of
2-[(azepan-1-yl)methyl]-7,8-dimethoxyphthalazin-1(2H)-one
2-[(azepan-1-yl)methyl]-7,8-dimethoxyphthalazin-1(2H)-one
Compound characteristics
| Compound ID: | Y043-3172 |
| Compound Name: | 2-[(azepan-1-yl)methyl]-7,8-dimethoxyphthalazin-1(2H)-one |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C17 H23 N3 O3 |
| Smiles: | COc1ccc2C=NN(CN3CCCCCC3)C(c2c1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.233 |
| logD: | 2.2014 |
| logSw: | -2.6186 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.335 |
| InChI Key: | AOJZHUILKVUFHF-UHFFFAOYSA-N |