4-acetyl-N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
4-acetyl-N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
4-acetyl-N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
Compound ID: | F053-0462 |
Compound Name: | 4-acetyl-N-(4-chloro-3-nitrophenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
Molecular Weight: | 427.88 |
Molecular Formula: | C16 H14 Cl N3 O5 S2 |
Smiles: | CC(N1CCSc2ccc(cc12)S(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9067 |
logD: | -0.2755 |
logSw: | -3.5324 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.021 |
InChI Key: | PIQKWCIJOBCDPA-UHFFFAOYSA-N |