4,7-diamino-2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-2458 |
| Compound Name: | 4,7-diamino-2-(methylsulfanyl)-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 379.36 |
| Molecular Formula: | C16 H12 F3 N5 O S |
| Smiles: | CSc1nc(c2C(C(C#N)=C(N)Oc2n1)c1ccc(cc1)C(F)(F)F)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.007 |
| logD: | 3.0069 |
| logSw: | -3.3455 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.203 |
| InChI Key: | DWYHDFUZCZCWEA-JTQLQIEISA-N |