6-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Chemical Structure Depiction of
6-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
6-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Compound characteristics
| Compound ID: | K292-1626 |
| Compound Name: | 6-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2CCCCCC(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1051 |
| logD: | 0.2769 |
| logSw: | -3.2983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.895 |
| InChI Key: | ZNZJAHSGBFZNNR-UHFFFAOYSA-N |