4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K292-1663 |
| Compound Name: | 4-({2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C26 H31 N3 O6 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccsc3C(N2CC2CCC(CC2)C(O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6019 |
| logD: | 0.0416 |
| logSw: | -2.9125 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.964 |
| InChI Key: | IKMNNZLTTUJTKD-UHFFFAOYSA-N |