N-[2-(3,4-diethoxyphenyl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide
Compound characteristics
| Compound ID: | C210-0158 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-{6-methyl-4-oxo-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-3(4H)-yl}acetamide |
| Molecular Weight: | 641.77 |
| Molecular Formula: | C29 H35 N7 O6 S2 |
| Smiles: | CCOc1ccc(CCNC(CN2C=Nc3c(C2=O)c(c(C)s3)S(N2CCN(CC2)c2ncccn2)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.4453 |
| logD: | 1.4452 |
| logSw: | -2.7459 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.308 |
| InChI Key: | AVFHJFWBQQDUPY-UHFFFAOYSA-N |