2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4112-3846 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-6-phenyl-3-(prop-2-en-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C23 H18 N2 O3 S2 |
| Smiles: | C=CCN1C(=Nc2c(cc(c3ccccc3)s2)C1=O)SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.5768 |
| logD: | 5.5768 |
| logSw: | -5.8245 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.767 |
| InChI Key: | XJNUASUYJOAACV-UHFFFAOYSA-N |