4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzoic acid
Chemical Structure Depiction of
4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzoic acid
4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzoic acid
Compound characteristics
| Compound ID: | K292-1739 |
| Compound Name: | 4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]benzoic acid |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C22 H17 N3 O5 S2 |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2ccsc2C(N1c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8257 |
| logD: | 1.4305 |
| logSw: | -4.0364 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.279 |
| InChI Key: | VEXZPNRPWIOJCJ-UHFFFAOYSA-N |