4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)butanamide
4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | K292-1309 |
| Compound Name: | 4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 534.7 |
| Molecular Formula: | C28 H30 N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2CCCC(NCCc2ccccc2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1555 |
| logD: | 3.1555 |
| logSw: | -3.4131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.552 |
| InChI Key: | JYSORWNIJAJQTF-UHFFFAOYSA-N |