3-fluoro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Chemical Structure Depiction of
3-fluoro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
3-fluoro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | 8018-1713 |
| Compound Name: | 3-fluoro-N-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl]aniline |
| Molecular Weight: | 260.31 |
| Molecular Formula: | C14 H17 F N4 |
| Smiles: | C1CCc2nnc(CNc3cccc(c3)F)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.9811 |
| logD: | 1.981 |
| logSw: | -2.011 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.745 |
| InChI Key: | KCMCWKVVYPPGFR-UHFFFAOYSA-N |