3-oxo-4-phenyl-3,4-dihydro-2H-1,4-benzothiazine-6,7-dicarbonitrile
Chemical Structure Depiction of
3-oxo-4-phenyl-3,4-dihydro-2H-1,4-benzothiazine-6,7-dicarbonitrile
3-oxo-4-phenyl-3,4-dihydro-2H-1,4-benzothiazine-6,7-dicarbonitrile
Compound characteristics
| Compound ID: | 8017-1389 |
| Compound Name: | 3-oxo-4-phenyl-3,4-dihydro-2H-1,4-benzothiazine-6,7-dicarbonitrile |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C16 H9 N3 O S |
| Smiles: | C1C(N(c2ccccc2)c2cc(C#N)c(C#N)cc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2677 |
| logD: | 2.2677 |
| logSw: | -3.0554 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.12 |
| InChI Key: | IKIVCGJMXLHVNM-UHFFFAOYSA-N |