N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-ethoxybenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-ethoxybenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-ethoxybenzamide
Compound characteristics
| Compound ID: | D336-6092 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-ethoxybenzamide |
| Molecular Weight: | 387.48 |
| Molecular Formula: | C18 H17 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3475 |
| logD: | 3.3472 |
| logSw: | -3.6404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.923 |
| InChI Key: | KHQJSRKMCMBOAO-UHFFFAOYSA-N |