4-{[3-(pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino}butan-1-ol
Chemical Structure Depiction of
4-{[3-(pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino}butan-1-ol
4-{[3-(pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino}butan-1-ol
Compound characteristics
| Compound ID: | 8013-0791 |
| Compound Name: | 4-{[3-(pentafluoroethyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]amino}butan-1-ol |
| Molecular Weight: | 375.3 |
| Molecular Formula: | C15 H14 F5 N5 O |
| Smiles: | C(CCO)CNc1c2ccccc2c2nnc(C(C(F)(F)F)(F)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4358 |
| logD: | 2.4358 |
| logSw: | -2.3686 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.586 |
| InChI Key: | JCBJVUOYDAWBLL-UHFFFAOYSA-N |