1-(butan-2-yl)-7-(3,4-dichlorophenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
1-(butan-2-yl)-7-(3,4-dichlorophenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
1-(butan-2-yl)-7-(3,4-dichlorophenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | Y504-6879 |
| Compound Name: | 1-(butan-2-yl)-7-(3,4-dichlorophenyl)-2-sulfanyl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 448.29 |
| Molecular Formula: | C18 H14 Cl2 F3 N3 O S |
| Smiles: | CCC(C)N1C(=NC(c2c(cc(c3ccc(c(c3)[Cl])[Cl])nc12)C(F)(F)F)=O)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4131 |
| logD: | 3.3227 |
| logSw: | -6.5211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.49 |
| InChI Key: | NNGXOBNYLCUBMY-QMMMGPOBSA-N |