N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | V006-0303 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C29 H26 N2 O4 S |
| Smiles: | Cc1cccc(CN(C(c2cccs2)=O)c2ccc(CC(NCc3ccc4c(c3)OCO4)=O)cc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6443 |
| logD: | 5.6443 |
| logSw: | -5.3886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.923 |
| InChI Key: | TZSBSEAFAUBNAQ-UHFFFAOYSA-N |