N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(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-(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-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C075-0238 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 555.59 |
| Molecular Formula: | C30 H29 N5 O6 |
| Smiles: | COc1ccc(cc1)N1C(c2ccccc2C(C(NCC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4408 |
| logD: | 2.2492 |
| logSw: | -3.1194 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.053 |
| InChI Key: | AZUHNUISVHRZAY-UHFFFAOYSA-N |