N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzyl-4-cyanobenzamide
Chemical Structure Depiction of
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzyl-4-cyanobenzamide
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzyl-4-cyanobenzamide
Compound characteristics
| Compound ID: | V023-8064 |
| Compound Name: | N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzyl-4-cyanobenzamide |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C31 H25 N3 O4 |
| Smiles: | C(C(NCc1ccc2c(c1)OCO2)=O)c1cccc(c1)N(Cc1ccccc1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7069 |
| logD: | 4.7069 |
| logSw: | -4.8012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.961 |
| InChI Key: | IUGUFCVAQNEVTC-UHFFFAOYSA-N |