3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | J087-0256 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)amino]-N-(4-methylphenyl)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H18 N2 O5 S |
| Smiles: | Cc1ccc(cc1)NC(C1=C(c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8653 |
| logD: | 3.2716 |
| logSw: | -3.9769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.823 |
| InChI Key: | YSYSFCXBNOTORI-UHFFFAOYSA-N |