ethyl {[6-(4-bromoanilino)pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[6-(4-bromoanilino)pyrimidin-4-yl]sulfanyl}acetate
ethyl {[6-(4-bromoanilino)pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C301-6511 |
| Compound Name: | ethyl {[6-(4-bromoanilino)pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 368.25 |
| Molecular Formula: | C14 H14 Br N3 O2 S |
| Smiles: | CCOC(CSc1cc(Nc2ccc(cc2)[Br])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1047 |
| logD: | 4.0992 |
| logSw: | -4.1401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.048 |
| InChI Key: | KSNZNVFXNCLSIO-UHFFFAOYSA-N |