3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(piperidine-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-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0227 |
| Compound Name: | 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 529.68 |
| Molecular Formula: | C25 H31 N5 O4 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)Cc3ccccc3)=O)C=Nc2s1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4643 |
| logD: | 1.4489 |
| logSw: | -2.1908 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.885 |
| InChI Key: | RSHBAVMMPQJMBK-UHFFFAOYSA-N |