(5-chloro-2-fluorophenyl)[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
Chemical Structure Depiction of
(5-chloro-2-fluorophenyl)[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
(5-chloro-2-fluorophenyl)[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone
Compound characteristics
Compound ID: | SC70-0579 |
Compound Name: | (5-chloro-2-fluorophenyl)[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]methanone |
Molecular Weight: | 348.81 |
Molecular Formula: | C17 H18 Cl F N4 O |
Smiles: | Cc1nc(C2CN(CC23CCC3)C(c2cc(ccc2F)[Cl])=O)n[nH]1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8311 |
logD: | 2.829 |
logSw: | -3.6467 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.769 |
InChI Key: | HWHZTPIBMPJSEV-ZDUSSCGKSA-N |