N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1374 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 638.81 |
| Molecular Formula: | C32 H38 N4 O6 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.947 |
| logD: | 3.947 |
| logSw: | -3.9121 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.615 |
| InChI Key: | KNAHJNRLFJDLDK-UHFFFAOYSA-N |