4-{[2-({2-[butyl(ethyl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-({2-[butyl(ethyl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
4-{[2-({2-[butyl(ethyl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1668 |
| Compound Name: | 4-{[2-({2-[butyl(ethyl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 465.63 |
| Molecular Formula: | C22 H31 N3 O4 S2 |
| Smiles: | CCCCN(CC)C(CSC1=Nc2ccsc2C(N1CC1CCC(CC1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7701 |
| logD: | 1.2098 |
| logSw: | -3.7135 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.32 |
| InChI Key: | WFKCUTSMLKDXML-UHFFFAOYSA-N |