6-methyl-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
6-methyl-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C210-0169 |
| Compound Name: | 6-methyl-3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-5-[4-(pyrimidin-2-yl)piperazine-1-sulfonyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 662.71 |
| Molecular Formula: | C28 H29 F3 N8 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)C=Nc2s1)=O)S(N1CCN(CC1)c1ncccn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4702 |
| logD: | 2.4701 |
| logSw: | -2.8238 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.228 |
| InChI Key: | CWADUMRQUWVGBI-UHFFFAOYSA-N |