3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | K292-0625 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | CC1CCN(CC1)C(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8511 |
| logD: | 3.8511 |
| logSw: | -3.9254 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.297 |
| InChI Key: | FWFLYKNOKDJLLR-UHFFFAOYSA-N |