N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0663 |
| Compound Name: | N-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 502.48 |
| Molecular Formula: | C26 H22 N4 O7 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2C(C(NCC(Nc2ccc3c(c2)OCO3)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7864 |
| logD: | 2.7864 |
| logSw: | -3.6316 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.987 |
| InChI Key: | WRQHVEAOOLNDNR-UHFFFAOYSA-N |