4-{[4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | E793-3689 |
| Compound Name: | 4-{[4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}thieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1=Nc2ccsc2C(N1CC1CCC(CC1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.142 |
| logD: | 1.5817 |
| logSw: | -4.0941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.143 |
| InChI Key: | KCPQCWBHVCJLKX-UHFFFAOYSA-N |