5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C186-0418 |
| Compound Name: | 5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methyl-3-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 588.7 |
| Molecular Formula: | C26 H32 N6 O6 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(N3CCN(CC3)c3ccc(cc3)[N+]([O-])=O)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7897 |
| logD: | 2.7897 |
| logSw: | -3.2956 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.853 |
| InChI Key: | UJSJHGFCWGJNCD-UHFFFAOYSA-N |