1-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}azepane
Chemical Structure Depiction of
1-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}azepane
1-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}azepane
Compound characteristics
Compound ID: | M090-0061 |
Compound Name: | 1-{2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonyl}azepane |
Molecular Weight: | 408.46 |
Molecular Formula: | C16 H19 F3 N2 O3 S2 |
Smiles: | Cc1c(c(c(C)s1)S(N1CCCCCC1)(=O)=O)c1cc(C(F)(F)F)on1 |
Stereo: | ACHIRAL |
logP: | 4.3819 |
logD: | 4.3819 |
logSw: | -4.3795 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.834 |
InChI Key: | XGIWYMJCHKOVKP-UHFFFAOYSA-N |