6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K292-1610 |
| Compound Name: | 6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3693 |
| logD: | 0.5412 |
| logSw: | -3.5528 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.696 |
| InChI Key: | LEGCLVBQMBTTJD-UHFFFAOYSA-N |