4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzoic acid
Chemical Structure Depiction of
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzoic acid
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzoic acid
Compound characteristics
| Compound ID: | K292-1741 |
| Compound Name: | 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}benzoic acid |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2c2ccc(cc2)C(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8639 |
| logD: | 1.4687 |
| logSw: | -3.8879 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.058 |
| InChI Key: | UEFYNVQRHOCUAG-UHFFFAOYSA-N |