7-(4-tert-butylphenyl)-1-(propan-2-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(4-tert-butylphenyl)-1-(propan-2-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(4-tert-butylphenyl)-1-(propan-2-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7070 |
| Compound Name: | 7-(4-tert-butylphenyl)-1-(propan-2-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 421.48 |
| Molecular Formula: | C21 H22 F3 N3 O S |
| Smiles: | CC(C)N1C(=NC(c2c(cc(c3ccc(cc3)C(C)(C)C)nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 6.5849 |
| logD: | 3.4946 |
| logSw: | -5.7586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.906 |
| InChI Key: | JTYBXMUAQIJYAI-UHFFFAOYSA-N |