N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzylthiophene-2-carboxamide
Chemical Structure Depiction of
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzylthiophene-2-carboxamide
N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzylthiophene-2-carboxamide
Compound characteristics
| Compound ID: | V029-0532 |
| Compound Name: | N-[3-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-N-benzylthiophene-2-carboxamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C28 H24 N2 O4 S |
| Smiles: | C(C(NCc1ccc2c(c1)OCO2)=O)c1cccc(c1)N(Cc1ccccc1)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0486 |
| logD: | 5.0486 |
| logSw: | -4.947 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.923 |
| InChI Key: | JJHYTGSRYYRVTL-UHFFFAOYSA-N |