ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamido]benzoate
ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamido]benzoate
Compound characteristics
| Compound ID: | E699-2366 |
| Compound Name: | ethyl 3-[3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)butanamido]benzoate |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CC(C)S(c1ccc2c(c1)NC(CS2)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8003 |
| logD: | 2.8002 |
| logSw: | -3.3497 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.463 |
| InChI Key: | ZRRZPCPWPFWIOZ-ZDUSSCGKSA-N |