4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | K292-1878 |
| Compound Name: | 4-{[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]methyl}benzoic acid |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C24 H21 N3 O5 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1Cc1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6039 |
| logD: | 1.6324 |
| logSw: | -4.06 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.47 |
| InChI Key: | CKNCJMOHYJHECA-UHFFFAOYSA-N |