2-(azepane-1-carbonyl)-N-(2-chloro-4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-(2-chloro-4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-N-(2-chloro-4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
Compound ID: | L305-1754 |
Compound Name: | 2-(azepane-1-carbonyl)-N-(2-chloro-4-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
Molecular Weight: | 497.99 |
Molecular Formula: | C21 H21 Cl F N3 O4 S2 |
Smiles: | C1CCCN(CC1)C(C1C(Nc2cc(ccc2S1)S(Nc1ccc(cc1[Cl])F)(=O)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0021 |
logD: | 1.5547 |
logSw: | -4.3039 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.047 |
InChI Key: | LSDGELDAEDZFMU-IBGZPJMESA-N |