N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-fluoro-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-fluoro-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-fluoro-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide
Compound characteristics
| Compound ID: | V007-8750 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-fluoro-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)benzamide |
| Molecular Weight: | 583.62 |
| Molecular Formula: | C32 H30 F N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1ccc(nn1)N1CCN(CC1)C(CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8952 |
| logD: | 3.7833 |
| logSw: | -4.0627 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.425 |
| InChI Key: | XOMUEBDWUZZSDI-UHFFFAOYSA-N |