3-[6-chloro-1,1-dioxo-2-(piperidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
3-[6-chloro-1,1-dioxo-2-(piperidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
3-[6-chloro-1,1-dioxo-2-(piperidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | L810-0681 |
| Compound Name: | 3-[6-chloro-1,1-dioxo-2-(piperidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | C1CCN(CC1)C(C1=CN(c2cccc(C#N)c2)c2cc(ccc2S1(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8496 |
| logD: | 2.8496 |
| logSw: | -3.5123 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.655 |
| InChI Key: | YZBJKKPEIXPISO-UHFFFAOYSA-N |