6-chloro-4-[3-(methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Chemical Structure Depiction of
6-chloro-4-[3-(methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
6-chloro-4-[3-(methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | L810-0421 |
| Compound Name: | 6-chloro-4-[3-(methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)-1lambda~6~,4-benzothiazine-1,1(4H)-dione |
| Molecular Weight: | 434.96 |
| Molecular Formula: | C20 H19 Cl N2 O3 S2 |
| Smiles: | CSc1cccc(c1)N1C=C(C(N2CCCC2)=O)S(c2ccc(cc12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3162 |
| logD: | 3.3162 |
| logSw: | -3.6799 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.965 |
| InChI Key: | VSTHBXYZLIMAIX-UHFFFAOYSA-N |