4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-phenylpropanoate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-phenylpropanoate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-phenylpropanoate
Compound characteristics
Compound ID: | 3680-0005 |
Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)amino]phenyl 3-phenylpropanoate |
Molecular Weight: | 406.46 |
Molecular Formula: | C22 H18 N2 O4 S |
Smiles: | C(Cc1ccccc1)C(=O)Oc1ccc(cc1)NC1c2ccccc2S(N=1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.9716 |
logD: | 3.9616 |
logSw: | -4.3941 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.627 |
InChI Key: | LZJUYRFAXBZJPA-UHFFFAOYSA-N |