3-[2-(4-benzylpiperazin-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-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C186-0452 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-(3,5-dimethylpiperidine-1-sulfonyl)-6-methylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 557.73 |
| Molecular Formula: | C27 H35 N5 O4 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1c2C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4235 |
| logD: | 2.4081 |
| logSw: | -2.5652 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.752 |
| InChI Key: | MTXZBASPQNOXSY-UHFFFAOYSA-N |