N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-0996 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-chlorobenzene-1-sulfinyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 417.87 |
| Molecular Formula: | C20 H16 Cl N O5 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(CS(c2cccc(c2)[Cl])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7279 |
| logD: | 3.7279 |
| logSw: | -4.2268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.749 |
| InChI Key: | RRQSEHDJJJLHJZ-UHFFFAOYSA-N |