6-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Chemical Structure Depiction of
6-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
6-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid
Compound characteristics
| Compound ID: | K292-1745 |
| Compound Name: | 6-[2-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanoic acid |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CCc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.931 |
| logD: | 1.1028 |
| logSw: | -3.7276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.573 |
| InChI Key: | CENVJFMLWHFUNG-UHFFFAOYSA-N |