1-(butan-2-yl)-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
1-(butan-2-yl)-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
Compound ID: | Y504-7000 |
Compound Name: | 1-(butan-2-yl)-5-(difluoromethyl)-7-(3,4-dimethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
Molecular Weight: | 421.46 |
Molecular Formula: | C20 H21 F2 N3 O3 S |
Smiles: | [H]C(c1cc(c2ccc(c(c2)OC)OC)nc2c1C(N=C(N2C(C)CC)S)=O)(F)F |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0295 |
logD: | 0.9391 |
logSw: | -4.3755 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.751 |
InChI Key: | QHLLUAFIMJXKAF-JTQLQIEISA-N |