6-[2-{[1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-{[1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
6-[2-{[1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K292-1931 |
| Compound Name: | 6-[2-{[1-(4-bromoanilino)-1-oxobutan-2-yl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid |
| Molecular Weight: | 538.48 |
| Molecular Formula: | C22 H24 Br N3 O4 S2 |
| Smiles: | CCC(C(Nc1ccc(cc1)[Br])=O)SC1=Nc2ccsc2C(N1CCCCCC(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8451 |
| logD: | 2.0169 |
| logSw: | -4.2093 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.786 |
| InChI Key: | ZOUAZKGUJIOEPP-KRWDZBQOSA-N |