N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-0403 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-carboxamide |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | Cc1cccc(c1)S(Cc1ccc(C(NCc2ccc3c(c2)OCO3)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5583 |
| logD: | 3.5583 |
| logSw: | -3.7377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.749 |
| InChI Key: | UBPXMBHCANVFLE-UHFFFAOYSA-N |