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 |