1,1-dioxo-4-[3-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
1,1-dioxo-4-[3-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
1,1-dioxo-4-[3-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0013 |
| Compound Name: | 1,1-dioxo-4-[3-(propan-2-yl)phenyl]-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 324.4 |
| Molecular Formula: | C18 H16 N2 O2 S |
| Smiles: | CC(C)c1cccc(c1)N1C=C(C#N)S(c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1562 |
| logD: | 3.1562 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.007 |
| InChI Key: | DLGJMNHBVBTKOZ-UHFFFAOYSA-N |