4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0030 |
| Compound Name: | 4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C16 H12 N2 O2 S2 |
| Smiles: | CSc1cccc(c1)N1C=C(C#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3159 |
| logD: | 2.3159 |
| logSw: | -2.6333 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.007 |
| InChI Key: | LKUFOQOSICQOFM-UHFFFAOYSA-N |