2-(azepane-1-carbonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-1880 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[2-(3-methylthiophen-2-yl)ethyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C22 H27 N3 O4 S3 |
| Smiles: | Cc1ccsc1CCNS(c1ccc2c(c1)NC(C(C(N1CCCCCC1)=O)S2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9155 |
| logD: | 3.9154 |
| logSw: | -3.8492 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.714 |
| InChI Key: | QUWDMRYRJSEXRL-FQEVSTJZSA-N |