2-(azepane-1-carbonyl)-N-(4-chloro-2-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-(4-chloro-2-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
2-(azepane-1-carbonyl)-N-(4-chloro-2-fluorophenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-1743 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-(4-chloro-2-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(cc1F)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1785 |
| logD: | 1.7311 |
| logSw: | -4.4382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.047 |
| InChI Key: | OCKDWICJWQZIJO-IBGZPJMESA-N |