4-{[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1666 |
| Compound Name: | 4-{[2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C22 H21 F N2 O4 S2 |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccsc2C1=O)SCC(c1ccc(cc1)F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7851 |
| logD: | 1.2248 |
| logSw: | -4.092 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.637 |
| InChI Key: | YNVNXRNFHUEJFC-UHFFFAOYSA-N |