N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
Compound characteristics
| Compound ID: | V022-6117 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-fluorophenyl)methyl]-4-methylbenzamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C31 H27 F N2 O4 |
| Smiles: | Cc1ccc(cc1)C(N(Cc1cccc(c1)F)c1ccc(CC(NCc2ccc3c(c2)OCO3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5471 |
| logD: | 5.5471 |
| logSw: | -5.4113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.905 |
| InChI Key: | KOJVBWDAKAXHND-UHFFFAOYSA-N |