N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[(furan-2-yl)methyl]amino}-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide
Compound characteristics
| Compound ID: | K292-1382 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide |
| Molecular Weight: | 598.74 |
| Molecular Formula: | C29 H34 N4 O6 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(NCc2ccco2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 3.01 |
| logSw: | -3.3281 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.562 |
| InChI Key: | WGNLJOKKCACIOP-UHFFFAOYSA-N |