N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-methylbenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D336-6043 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-methylbenzamide |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C17 H15 N3 O2 S2 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4019 |
| logD: | 3.4012 |
| logSw: | -3.7773 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.799 |
| InChI Key: | ISUFGSMTFMAQPC-UHFFFAOYSA-N |