6-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Chemical Structure Depiction of
6-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
6-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 6773-0516 |
| Compound Name: | 6-methyl-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile |
| Molecular Weight: | 363.4 |
| Molecular Formula: | C18 H16 F3 N3 S |
| Smiles: | CN1CCc2c(C1)cc(C#N)c(n2)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.8478 |
| logD: | 3.837 |
| logSw: | -4.1308 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.6018 |
| InChI Key: | XQBUTMHXTGXNPP-UHFFFAOYSA-N |