2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
Compound ID: | E140-1220 |
Compound Name: | 2-({6-[(3-methoxyphenyl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
Molecular Weight: | 504.53 |
Molecular Formula: | C24 H23 F3 N4 O3 S |
Smiles: | COc1cccc(CN2CCC3=C(C2)C(NC(=N3)SCC(Nc2cccc(c2)C(F)(F)F)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 3.6318 |
logD: | 3.0824 |
logSw: | -4.0939 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.639 |
InChI Key: | YCOFEZUTNLUBEK-UHFFFAOYSA-N |