7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6475 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C23 H17 F2 N3 O4 S |
| Smiles: | [H]C(c1cc(c2ccc3c(c2)OCO3)nc2c1C(N=C(N2c1ccccc1OCC)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.6519 |
| logD: | -0.3171 |
| logSw: | -4.5903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.327 |
| InChI Key: | QZSPZHJFCWFMRV-UHFFFAOYSA-N |