N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide
Compound characteristics
| Compound ID: | D336-6058 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-methylbenzamide |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C17 H15 N3 O2 S2 |
| Smiles: | Cc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1975 |
| logD: | 3.1954 |
| logSw: | -3.5641 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.799 |
| InChI Key: | PJDDLDCBAKSXQV-UHFFFAOYSA-N |