N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide
Compound characteristics
| Compound ID: | C700-1347 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfonyl}acetamide |
| Molecular Weight: | 462.91 |
| Molecular Formula: | C21 H19 Cl N2 O6 S |
| Smiles: | Cc1c(CS(CC(NCc2ccc3c(c2)OCO3)=O)(=O)=O)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 2.8928 |
| logD: | 2.8928 |
| logSw: | -3.6439 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.976 |
| InChI Key: | RLLCVQAJMBRWBJ-UHFFFAOYSA-N |