6-(azepane-1-sulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | G549-0120 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 469 |
| Molecular Formula: | C21 H22 Cl F N2 O3 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(CS2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0129 |
| logD: | 5.0129 |
| logSw: | -5.188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 47.661 |
| InChI Key: | RVQWINZFVXYZSM-UHFFFAOYSA-N |