7-(4-tert-butylphenyl)-1-ethyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(4-tert-butylphenyl)-1-ethyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(4-tert-butylphenyl)-1-ethyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y505-2098 |
| Compound Name: | 7-(4-tert-butylphenyl)-1-ethyl-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 407.46 |
| Molecular Formula: | C20 H20 F3 N3 O S |
| Smiles: | CCN1C(=NC(c2c(cc(c3ccc(cc3)C(C)(C)C)nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 6.2224 |
| logD: | 2.7003 |
| logSw: | -5.602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.91 |
| InChI Key: | FRGIIOBXPIUAOG-UHFFFAOYSA-N |