2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
Chemical Structure Depiction of
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
Compound characteristics
| Compound ID: | 4940-1443 |
| Compound Name: | 2-{2-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | C1C(CN(C1=O)c1ccccc1)C(=O)OCCOCCNC1c2ccccc2S(N=1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9281 |
| logD: | 0.928 |
| logSw: | -2.3963 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.077 |
| InChI Key: | CYNCXOMECQQINJ-INIZCTEOSA-N |