N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide
Compound characteristics
| Compound ID: | K292-1364 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[4-oxo-2-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]hexanamide |
| Molecular Weight: | 601.77 |
| Molecular Formula: | C27 H31 N5 O5 S3 |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3ccsc3C2=O)SCC(Nc2nccs2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7439 |
| logD: | 2.7436 |
| logSw: | -3.3043 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.969 |
| InChI Key: | KIABEWNWSCIFIV-UHFFFAOYSA-N |