4-(2-ethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(2-ethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(2-ethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
Compound ID: | L807-0010 |
Compound Name: | 4-(2-ethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
Molecular Weight: | 310.37 |
Molecular Formula: | C17 H14 N2 O2 S |
Smiles: | CCc1ccccc1N1C=C(C#N)S(c2ccccc12)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7214 |
logD: | 2.7214 |
logSw: | -3.1006 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.706 |
InChI Key: | XCJPIIPDNLICFN-UHFFFAOYSA-N |