1,1-dioxo-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
1,1-dioxo-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
1,1-dioxo-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
Compound ID: | L807-0073 |
Compound Name: | 1,1-dioxo-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
Molecular Weight: | 350.32 |
Molecular Formula: | C16 H9 F3 N2 O2 S |
Smiles: | C1=C(C#N)S(c2ccccc2N1c1ccc(cc1)C(F)(F)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7453 |
logD: | 2.7453 |
logSw: | -3.3861 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.007 |
InChI Key: | NNAKOJZFBMXRSR-UHFFFAOYSA-N |