4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
Chemical Structure Depiction of
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate
Compound characteristics
| Compound ID: | 8010-0490 |
| Compound Name: | 4-[(1,1-dioxo-1H-1lambda~6~,2-benzothiazol-3-yl)(methyl)amino]phenyl propanoate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C17 H16 N2 O4 S |
| Smiles: | CCC(=O)Oc1ccc(cc1)N(C)C1c2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2839 |
| logD: | 2.2839 |
| logSw: | -2.8684 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.905 |
| InChI Key: | XEJLGOPQNHBUPP-UHFFFAOYSA-N |