7-(adamantan-1-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(adamantan-1-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
7-(adamantan-1-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6709 |
| Compound Name: | 7-(adamantan-1-yl)-5-(difluoromethyl)-1-(2-ethoxyphenyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 483.58 |
| Molecular Formula: | C26 H27 F2 N3 O2 S |
| Smiles: | [H]C(c1cc(C23CC4CC(CC(C4)C3)C2)nc2c1C(N=C(N2c1ccccc1OCC)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2393 |
| logD: | 6.2393 |
| logSw: | -5.5797 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.245 |
| InChI Key: | PCTNUTBPBIDXBI-UHFFFAOYSA-N |