4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)phthalazin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | K979-0802 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)phthalazin-1(2H)-one |
| Molecular Weight: | 512.57 |
| Molecular Formula: | C29 H28 N4 O5 |
| Smiles: | CCOc1ccc(cc1)N1C(c2ccccc2C(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4944 |
| logD: | 3.3991 |
| logSw: | -3.6277 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.476 |
| InChI Key: | TWCHVESJDCSWBL-UHFFFAOYSA-N |