3-[4-(butylsulfanyl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Chemical Structure Depiction of
3-[4-(butylsulfanyl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
3-[4-(butylsulfanyl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione
Compound characteristics
Compound ID: | 8009-3064 |
Compound Name: | 3-[4-(butylsulfanyl)anilino]-1H-1lambda~6~,2-benzothiazole-1,1-dione |
Molecular Weight: | 346.47 |
Molecular Formula: | C17 H18 N2 O2 S2 |
Smiles: | CCCCSc1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2541 |
logD: | 4.2444 |
logSw: | -4.2601 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.844 |
InChI Key: | WVFOHLNVTVGIKM-UHFFFAOYSA-N |