(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
| Compound ID: | J093-0481 |
| Compound Name: | (1,4-dioxa-8-azaspiro[4.5]decan-8-yl)[5-(4-methylphenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanone |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C21 H20 F3 N5 O3 |
| Smiles: | Cc1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(N1CCC3(CC1)OCCO3)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.1586 |
| logD: | 3.1586 |
| logSw: | -3.1512 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.866 |
| InChI Key: | XRHNWTALEVRPGT-UHFFFAOYSA-N |