3-(3-bromoanilino)-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-(3-bromoanilino)-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-(3-bromoanilino)-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D581-0048 |
| Compound Name: | 3-(3-bromoanilino)-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 393.26 |
| Molecular Formula: | C16 H13 Br N2 O3 S |
| Smiles: | CNC(C1=C(c2ccccc2S1(=O)=O)Nc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.512 |
| logD: | 0.4348 |
| logSw: | -3.083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.452 |
| InChI Key: | IUAYKADAVAAKKV-UHFFFAOYSA-N |