7-ethyl-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
7-ethyl-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
7-ethyl-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-7888 |
| Compound Name: | 7-ethyl-1-(3-methoxypropyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 347.36 |
| Molecular Formula: | C14 H16 F3 N3 O2 S |
| Smiles: | CCc1cc(c2C(N=C(N(CCCOC)c2n1)S)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.968 |
| logD: | -0.5484 |
| logSw: | -3.0493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.273 |
| InChI Key: | KVELRGQGSWQVMG-UHFFFAOYSA-N |