1-(azocan-1-yl)-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azocan-1-yl)-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)ethan-1-one
1-(azocan-1-yl)-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)ethan-1-one
Compound characteristics
Compound ID: | J060-2092 |
Compound Name: | 1-(azocan-1-yl)-2-({[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)ethan-1-one |
Molecular Weight: | 359.49 |
Molecular Formula: | C19 H25 N3 O2 S |
Smiles: | Cc1ccc(cc1)c1nc(CSCC(N2CCCCCCC2)=O)no1 |
Stereo: | ACHIRAL |
logP: | 4.5132 |
logD: | 4.5132 |
logSw: | -4.1484 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 49.358 |
InChI Key: | CGAICHJWVUKGCH-UHFFFAOYSA-N |