N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | K979-1091 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C25 H21 N3 O6 |
| Smiles: | COc1cc(cc(c1)OC)N1C(c2ccccc2C(C(Nc2ccc3c(c2)OCCO3)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0808 |
| logD: | 3.0774 |
| logSw: | -3.6373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.049 |
| InChI Key: | JBMWQUXQAKQWGI-UHFFFAOYSA-N |