N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(3-chlorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(3-chlorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(3-chlorophenyl)methanesulfonyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | K788-4956 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(3-chlorophenyl)methanesulfonyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 447.89 |
| Molecular Formula: | C21 H18 Cl N O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CS(Cc2cccc(c2)[Cl])(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5379 |
| logD: | 3.5379 |
| logSw: | -3.701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.637 |
| InChI Key: | QTUNXFGFNOJPGE-UHFFFAOYSA-N |