3-{2-[4-(4-methoxyphenyl)piperazin-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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | C096-0242 |
| Compound Name: | 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 545.68 |
| Molecular Formula: | C25 H31 N5 O5 S2 |
| Smiles: | Cc1c(c2C(N(CC(N3CCN(CC3)c3ccc(cc3)OC)=O)C=Nc2s1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8872 |
| logD: | 1.8867 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.149 |
| InChI Key: | YKSXYIYESMBQCC-UHFFFAOYSA-N |