3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0503 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 543.71 |
| Molecular Formula: | C26 H33 N5 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9383 |
| logD: | 1.9229 |
| logSw: | -2.3317 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.885 |
| InChI Key: | YAAWGTQOMMYUMJ-UHFFFAOYSA-N |