6-methyl-5-(4-methylpiperidine-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-methyl-5-(4-methylpiperidine-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
6-methyl-5-(4-methylpiperidine-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0470 |
| Compound Name: | 6-methyl-5-(4-methylpiperidine-1-sulfonyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C25 H31 N5 O4 S2 |
| Smiles: | CC1CCN(CC1)S(c1c2C(N(CC(N3CCN(CC3)c3ccccc3)=O)C=Nc2sc1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2573 |
| logD: | 2.2572 |
| logSw: | -2.5087 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.605 |
| InChI Key: | HVQRCIIHYIRUKB-UHFFFAOYSA-N |