3-(3-chloro-4-methoxyphenyl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
3-(3-chloro-4-methoxyphenyl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0468 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-N-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 520.93 |
| Molecular Formula: | C26 H21 Cl N4 O6 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(Nc2ccc3c(c2)OCCO3)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6435 |
| logD: | 2.6434 |
| logSw: | -3.5864 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.064 |
| InChI Key: | ROVKOVRIMRRREG-UHFFFAOYSA-N |