4-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
4-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0056 |
| Compound Name: | 4-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 456.87 |
| Molecular Formula: | C20 H16 Cl F3 N2 O3 S |
| Smiles: | C1CCN(C1)C(C1=CN(c2ccc(c(c2)C(F)(F)F)[Cl])c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.588 |
| logD: | 3.588 |
| logSw: | -4.011 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.965 |
| InChI Key: | YGCNSZSAKKJPIU-UHFFFAOYSA-N |