N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0588 |
| Compound Name: | N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 516.51 |
| Molecular Formula: | C27 H24 N4 O7 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2C(C(NCC(Nc2ccc3c(c2)OCCO3)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9259 |
| logD: | 1.9258 |
| logSw: | -2.9495 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.694 |
| InChI Key: | NLEZBRVVMHRFPD-UHFFFAOYSA-N |