(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
Chemical Structure Depiction of
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
Compound ID: | J093-0087 |
Compound Name: | (1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone |
Molecular Weight: | 451.38 |
Molecular Formula: | C20 H17 F4 N5 O3 |
Smiles: | C1CN(CCC12OCCO2)C(c1nc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 2.7643 |
logD: | 2.7643 |
logSw: | -3.0485 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 60.866 |
InChI Key: | IKVWWIUGOBGRBU-UHFFFAOYSA-N |