N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(2-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1384 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 624.78 |
| Molecular Formula: | C31 H36 N4 O6 S2 |
| Smiles: | COc1ccccc1NC(CSC1=Nc2ccsc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3311 |
| logD: | 3.3311 |
| logSw: | -3.6255 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.424 |
| InChI Key: | ZSSQZQHIYCPSDB-UHFFFAOYSA-N |