3-(3,5-dimethylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-(3,5-dimethylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-(3,5-dimethylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0036 |
| Compound Name: | 3-(3,5-dimethylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C17 H16 N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC1=C(C(N)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0889 |
| logD: | 2.0108 |
| logSw: | -3.0666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.676 |
| InChI Key: | VSLJCJKXFDFJSE-UHFFFAOYSA-N |