3-[4-(dimethylamino)anilino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-[4-(dimethylamino)anilino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-[4-(dimethylamino)anilino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D531-0651 |
| Compound Name: | 3-[4-(dimethylamino)anilino]-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | CN(C)c1ccc(cc1)NC1=C(C(N)=O)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4859 |
| logD: | 1.2514 |
| logSw: | -2.4191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.48 |
| InChI Key: | IXTNUBHGPVNEHH-UHFFFAOYSA-N |