N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-5004 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(4-methylphenyl)methanesulfinyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C22 H21 N O5 S |
| Smiles: | Cc1ccc(CS(Cc2ccc(C(NCc3ccc4c(c3)OCO4)=O)o2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1946 |
| logD: | 3.1946 |
| logSw: | -3.3246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.381 |
| InChI Key: | YSYWEUOSWQVKDG-UHFFFAOYSA-N |