4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)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}methyl)benzoic acid
4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)benzoic acid
Compound characteristics
| Compound ID: | K292-1893 |
| Compound Name: | 4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)benzoic acid |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2Cc2ccc(cc2)C(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3396 |
| logD: | 1.3681 |
| logSw: | -4.0714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.669 |
| InChI Key: | IDDMUDRPUWCPRK-UHFFFAOYSA-N |