6-methyl-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
6-methyl-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
6-methyl-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0520 |
| Compound Name: | 6-methyl-4-[3-(methylsulfanyl)phenyl]-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 342.44 |
| Molecular Formula: | C17 H14 N2 O2 S2 |
| Smiles: | Cc1ccc2c(c1)N(C=C(C#N)S2(=O)=O)c1cccc(c1)SC |
| Stereo: | ACHIRAL |
| logP: | 2.9329 |
| logD: | 2.9329 |
| logSw: | -3.4122 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.007 |
| InChI Key: | NTTCNQGDELRGHI-UHFFFAOYSA-N |