1-butyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-butyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
1-butyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-5175 |
| Compound Name: | 1-butyl-7-[4-(difluoromethoxy)-3-methoxyphenyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 475.44 |
| Molecular Formula: | C20 H18 F5 N3 O3 S |
| Smiles: | CCCCN1C(=NC(c2c(cc(c3ccc(c(c3)OC)OC(F)F)nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 5.0828 |
| logD: | 1.5608 |
| logSw: | -4.9966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.486 |
| InChI Key: | WAJOEOJRBAWDRO-UHFFFAOYSA-N |