7-(1-methyl-1H-pyrazol-4-yl)-1-[(oxolan-2-yl)methyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(1-methyl-1H-pyrazol-4-yl)-1-[(oxolan-2-yl)methyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(1-methyl-1H-pyrazol-4-yl)-1-[(oxolan-2-yl)methyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6662 |
| Compound Name: | 7-(1-methyl-1H-pyrazol-4-yl)-1-[(oxolan-2-yl)methyl]-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 411.4 |
| Molecular Formula: | C17 H16 F3 N5 O2 S |
| Smiles: | Cn1cc(cn1)c1cc(c2C(N=C(N(CC3CCCO3)c2n1)S)=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1834 |
| logD: | -1.3386 |
| logSw: | -2.5394 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.377 |
| InChI Key: | ADGJMFQDQXBBDL-SNVBAGLBSA-N |