4-(3,4-dimethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(3,4-dimethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(3,4-dimethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0008 |
| Compound Name: | 4-(3,4-dimethylphenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C=C(C#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0202 |
| logD: | 3.0202 |
| logSw: | -3.3783 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.007 |
| InChI Key: | KJQTYDYGUPKAEG-UHFFFAOYSA-N |