7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6659 |
| Compound Name: | 7-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-ethoxyphenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 501.48 |
| Molecular Formula: | C24 H18 F3 N3 O4 S |
| Smiles: | CCOc1ccccc1N1C(=NC(c2c(cc(c3ccc4c(c3)OCCO4)nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 4.5151 |
| logD: | -0.4539 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.035 |
| InChI Key: | MUWJZQJHDVSLFL-UHFFFAOYSA-N |