N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-4-fluorobenzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | V008-1483 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-4-fluorobenzamide |
| Molecular Weight: | 588.04 |
| Molecular Formula: | C31 H27 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)F)=O)=O)c1ccc(c2ccccc2[Cl])nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2116 |
| logD: | 4.2078 |
| logSw: | -4.4339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.881 |
| InChI Key: | RUVGIPJHNYXQPZ-UHFFFAOYSA-N |