4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | L810-0437 |
| Compound Name: | 4-[6-chloro-1,1-dioxo-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazin-4(1H)-yl]benzonitrile |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C20 H16 Cl N3 O3 S |
| Smiles: | C1CCN(C1)C(C1=CN(c2ccc(C#N)cc2)c2cc(ccc2S1(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5273 |
| logD: | 2.5273 |
| logSw: | -3.2318 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.021 |
| InChI Key: | KGKQCSHAKATAMV-UHFFFAOYSA-N |