3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C186-0416 |
| Compound Name: | 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 578.15 |
| Molecular Formula: | C26 H32 Cl N5 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(N3CCN(CC3)c3cccc(c3)[Cl])=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3261 |
| logD: | 3.3261 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.472 |
| InChI Key: | HCHRFBKXOQPAQT-UHFFFAOYSA-N |