(3-fluoro-4-methoxyphenyl)(3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Chemical Structure Depiction of
(3-fluoro-4-methoxyphenyl)(3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
(3-fluoro-4-methoxyphenyl)(3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone
Compound characteristics
| Compound ID: | S895-0032 |
| Compound Name: | (3-fluoro-4-methoxyphenyl)(3'-methyl-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepin]-1-yl)methanone |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C20 H25 F N4 O2 |
| Smiles: | Cc1nnc2CCC3(CCN(CC3)C(c3ccc(c(c3)F)OC)=O)CCn12 |
| Stereo: | ACHIRAL |
| logP: | 1.169 |
| logD: | 1.1671 |
| logSw: | -1.9511 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.318 |
| InChI Key: | YUWVJQCINFSENX-UHFFFAOYSA-N |