5-(difluoromethyl)-1-(2,3-dimethylphenyl)-7-(furan-2-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
5-(difluoromethyl)-1-(2,3-dimethylphenyl)-7-(furan-2-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
5-(difluoromethyl)-1-(2,3-dimethylphenyl)-7-(furan-2-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7704 |
| Compound Name: | 5-(difluoromethyl)-1-(2,3-dimethylphenyl)-7-(furan-2-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 399.42 |
| Molecular Formula: | C20 H15 F2 N3 O2 S |
| Smiles: | [H]C(c1cc(c2ccco2)nc2c1C(N=C(N2c1cccc(C)c1C)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.4082 |
| logD: | 4.4082 |
| logSw: | -4.6021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.58 |
| InChI Key: | CPTMBCDIRFROGP-UHFFFAOYSA-N |