N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
Chemical Structure Depiction of
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
Compound characteristics
| Compound ID: | V023-8057 |
| Compound Name: | N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide |
| Molecular Weight: | 526.56 |
| Molecular Formula: | C31 H27 F N2 O5 |
| Smiles: | COc1cccc(c1)C(N(Cc1ccc(cc1)F)c1cccc(CC(NCc2ccc3c(c2)OCO3)=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0596 |
| logD: | 5.0596 |
| logSw: | -4.7591 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.449 |
| InChI Key: | NXARIOBSQNMAJJ-UHFFFAOYSA-N |