6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Chemical Structure Depiction of
6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid
Compound characteristics
| Compound ID: | K292-1614 |
| Compound Name: | 6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanoic acid |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C24 H29 N3 O6 S2 |
| Smiles: | COc1ccc(CCNC(CSC2=Nc3ccsc3C(N2CCCCCC(O)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9735 |
| logD: | -0.8547 |
| logSw: | -2.5482 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.997 |
| InChI Key: | RNGOUOVGRKNCLW-UHFFFAOYSA-N |