7-(2H-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
7-(2H-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6674 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-1-cyclopentyl-5-(difluoromethyl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C20 H17 F2 N3 O3 S |
| Smiles: | [H]C(c1cc(c2ccc3c(c2)OCO3)nc2c1C(N=C(N2C1CCCC1)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2244 |
| logD: | 1.134 |
| logSw: | -4.6182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.617 |
| InChI Key: | CNAQVGQQEDLWTO-UHFFFAOYSA-N |