N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
Compound characteristics
| Compound ID: | E776-0059 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C27 H24 N2 O4 S |
| Smiles: | Cc1ccc(cc1)SCc1c(C)oc(c2ccc(cc2)C(NCc2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5747 |
| logD: | 5.5747 |
| logSw: | -5.4004 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.618 |
| InChI Key: | XBIWEIFAGDHOPB-UHFFFAOYSA-N |