3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
Chemical Structure Depiction of
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | E699-3335 |
| Compound Name: | 3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]butanamide |
| Molecular Weight: | 452.61 |
| Molecular Formula: | C20 H24 N2 O4 S3 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(C(C)CC(NCCc1c(C)ccs1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6524 |
| logD: | 2.6524 |
| logSw: | -3.179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.948 |
| InChI Key: | NGZAHISOGYPBPU-UHFFFAOYSA-N |