1-(2,5-dimethoxybenzene-1-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Chemical Structure Depiction of
1-(2,5-dimethoxybenzene-1-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
1-(2,5-dimethoxybenzene-1-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Compound characteristics
Compound ID: | 8016-2729 |
Compound Name: | 1-(2,5-dimethoxybenzene-1-sulfonyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine |
Molecular Weight: | 475.44 |
Molecular Formula: | C19 H20 F3 N3 O6 S |
Smiles: | COc1ccc(c(c1)S(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)(=O)=O)OC |
Stereo: | ACHIRAL |
logP: | 3.5971 |
logD: | 3.5971 |
logSw: | -4.108 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 83.164 |
InChI Key: | UKMDJHVAGQOUHI-UHFFFAOYSA-N |