N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | V028-1206 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-fluoro-N-{2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl}benzamide |
| Molecular Weight: | 553.59 |
| Molecular Formula: | C31 H28 F N5 O4 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(CN(Cc1ccc2c(c1)OCO2)C(c1ccccc1F)=O)=O)c1ccc(c2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9581 |
| logD: | 3.9544 |
| logSw: | -4.1107 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.881 |
| InChI Key: | WWQVJMDBLIJTRH-UHFFFAOYSA-N |