1-butyl-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-butyl-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
1-butyl-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-5174 |
| Compound Name: | 1-butyl-7-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 437.44 |
| Molecular Formula: | C20 H18 F3 N3 O3 S |
| Smiles: | CCCCN1C(=NC(c2c(cc(c3ccc4c(c3)OCCO4)nc12)C(F)(F)F)=O)S |
| Stereo: | ACHIRAL |
| logP: | 4.3298 |
| logD: | 0.8077 |
| logSw: | -4.344 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.987 |
| InChI Key: | LRDRYEFOPQEAPC-UHFFFAOYSA-N |