1-[2-(3,4-diethoxyphenyl)ethyl]-5-(difluoromethyl)-7-methyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-[2-(3,4-diethoxyphenyl)ethyl]-5-(difluoromethyl)-7-methyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
1-[2-(3,4-diethoxyphenyl)ethyl]-5-(difluoromethyl)-7-methyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7927 |
| Compound Name: | 1-[2-(3,4-diethoxyphenyl)ethyl]-5-(difluoromethyl)-7-methyl-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 435.49 |
| Molecular Formula: | C21 H23 F2 N3 O3 S |
| Smiles: | [H]C(c1cc(C)nc2c1C(N=C(N2CCc1ccc(c(c1)OCC)OCC)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.3098 |
| logD: | -0.2066 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.39 |
| InChI Key: | PPBRKCAOJXBWTB-UHFFFAOYSA-N |