4-(4-bromo-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(4-bromo-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(4-bromo-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
Compound ID: | L807-0085 |
Compound Name: | 4-(4-bromo-2-methylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
Molecular Weight: | 375.24 |
Molecular Formula: | C16 H11 Br N2 O2 S |
Smiles: | Cc1cc(ccc1N1C=C(C#N)S(c2ccccc12)(=O)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 3.3542 |
logD: | 3.3542 |
logSw: | -3.7063 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.706 |
InChI Key: | KNWXNYAJWSHAGK-UHFFFAOYSA-N |