N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-0325 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 430.45 |
| Molecular Formula: | C21 H19 F N2 O5 S |
| Smiles: | Cc1c(CS(CC(NCc2ccc3c(c2)OCO3)=O)=O)nc(c2ccccc2F)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.5548 |
| logD: | 2.5548 |
| logSw: | -3.1631 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.72 |
| InChI Key: | UQHAEACVBQZHJO-UHFFFAOYSA-N |