3-(4-methylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-(4-methylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-(4-methylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0011 |
| Compound Name: | 3-(4-methylanilino)-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C16 H14 N2 O3 S |
| Smiles: | Cc1ccc(cc1)NC1=C(C(N)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8193 |
| logD: | 1.6152 |
| logSw: | -2.6021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.676 |
| InChI Key: | ZWBMXLLNYIUSDK-UHFFFAOYSA-N |