4-[(4-bromophenyl)sulfanyl]-3-(diacetylamino)benzoic acid
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-3-(diacetylamino)benzoic acid
4-[(4-bromophenyl)sulfanyl]-3-(diacetylamino)benzoic acid
Compound characteristics
| Compound ID: | K780-0381 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-3-(diacetylamino)benzoic acid |
| Molecular Weight: | 408.27 |
| Molecular Formula: | C17 H14 Br N O4 S |
| Smiles: | CC(N(C(C)=O)c1cc(ccc1Sc1ccc(cc1)[Br])C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6972 |
| logD: | 1.0076 |
| logSw: | -4.0277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.619 |
| InChI Key: | XVUHJVSSDYNIJW-UHFFFAOYSA-N |