7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-methoxyethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-methoxyethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-methoxyethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7182 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-5-(difluoromethyl)-1-(2-methoxyethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 407.39 |
| Molecular Formula: | C18 H15 F2 N3 O4 S |
| Smiles: | [H]C(c1cc(c2ccc3c(c2)OCO3)nc2c1C(N=C(N2CCOC)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.0239 |
| logD: | -0.4981 |
| logSw: | -3.1982 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.621 |
| InChI Key: | XMIHGBHETBSSDZ-UHFFFAOYSA-N |