N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0549 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 590.04 |
| Molecular Formula: | C30 H28 Cl N5 O6 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8385 |
| logD: | 2.6468 |
| logSw: | -3.623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.14 |
| InChI Key: | KZDOHRHVTCYMSZ-UHFFFAOYSA-N |