3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]butanamide
Chemical Structure Depiction of
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]butanamide
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | E699-3270 |
| Compound Name: | 3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[(thiophen-2-yl)methyl]butanamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C18 H20 N2 O4 S3 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(NCc1cccs1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4301 |
| logD: | 2.4301 |
| logSw: | -2.9351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.107 |
| InChI Key: | QVADQYVCBCQGAM-UHFFFAOYSA-N |