N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{N-[(3-methylphenyl)methyl](prop-2-en-1-yl)carbamamido}phenyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{N-[(3-methylphenyl)methyl](prop-2-en-1-yl)carbamamido}phenyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{N-[(3-methylphenyl)methyl](prop-2-en-1-yl)carbamamido}phenyl)acetamide
Compound characteristics
| Compound ID: | V028-8970 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-{N-[(3-methylphenyl)methyl](prop-2-en-1-yl)carbamamido}phenyl)acetamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C28 H29 N3 O4 |
| Smiles: | Cc1cccc(CN(C(NCC=C)=O)c2ccc(CC(NCc3ccc4c(c3)OCO4)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.6633 |
| logD: | 4.6633 |
| logSw: | -4.5334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.161 |
| InChI Key: | UPEGLUHHEPKXAG-UHFFFAOYSA-N |