4-(3-cyanophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Chemical Structure Depiction of
4-(3-cyanophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
4-(3-cyanophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile
Compound characteristics
| Compound ID: | L807-0035 |
| Compound Name: | 4-(3-cyanophenyl)-1,1-dioxo-1,4-dihydro-1lambda~6~,4-benzothiazine-2-carbonitrile |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C16 H9 N3 O2 S |
| Smiles: | C1=C(C#N)S(c2ccccc2N1c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.562 |
| logD: | 1.562 |
| logSw: | -2.1829 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.063 |
| InChI Key: | CFHLKMOTCRWKFH-UHFFFAOYSA-N |