N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]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-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide
Compound characteristics
| Compound ID: | K292-1386 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}hexanamide |
| Molecular Weight: | 682.86 |
| Molecular Formula: | C34 H42 N4 O7 S2 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(NCCc2ccc(c(c2)OC)OC)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5511 |
| logD: | 2.5511 |
| logSw: | -2.8426 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.915 |
| InChI Key: | POVPLKQGWJYJNF-UHFFFAOYSA-N |