5-(difluoromethyl)-7-methyl-1-(prop-2-en-1-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
5-(difluoromethyl)-7-methyl-1-(prop-2-en-1-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
5-(difluoromethyl)-7-methyl-1-(prop-2-en-1-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7361 |
| Compound Name: | 5-(difluoromethyl)-7-methyl-1-(prop-2-en-1-yl)-2-sulfanylpyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 283.3 |
| Molecular Formula: | C12 H11 F2 N3 O S |
| Smiles: | [H]C(c1cc(C)nc2c1C(N=C(N2CC=C)S)=O)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.0863 |
| logD: | -1.8619 |
| logSw: | -2.1897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.242 |
| InChI Key: | JMJNFCSKDRLCJF-UHFFFAOYSA-N |