N-(4-methylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide
Chemical Structure Depiction of
N-(4-methylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide
N-(4-methylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide
Compound characteristics
| Compound ID: | 7202-1120 |
| Compound Name: | N-(4-methylbenzene-1-sulfonyl)-N-(2-oxo-2H-1,3-benzoxathiol-5-yl)butanamide |
| Molecular Weight: | 391.46 |
| Molecular Formula: | C18 H17 N O5 S2 |
| Smiles: | CCCC(N(c1ccc2c(c1)SC(=O)O2)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9532 |
| logD: | 3.9532 |
| logSw: | -3.9401 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.363 |
| InChI Key: | JISADYLNZTYQQS-UHFFFAOYSA-N |