N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-6139 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{[(2-chlorophenyl)methanesulfinyl]methyl}furan-2-carboxamide |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CS(Cc2ccccc2[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8159 |
| logD: | 3.8159 |
| logSw: | -4.2215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.381 |
| InChI Key: | HTUYSIHQDYRPCB-UHFFFAOYSA-N |