4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic 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)cyclohexane-1-carboxylic acid
4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1671 |
| Compound Name: | 4-({2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3ccsc3C(N2CC2CCC(CC2)C(O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7335 |
| logD: | 1.1732 |
| logSw: | -3.8427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.861 |
| InChI Key: | OHAFWAKRXFQCHT-UHFFFAOYSA-N |