N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | D336-6079 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methoxybenzamide |
| Molecular Weight: | 373.45 |
| Molecular Formula: | C17 H15 N3 O3 S2 |
| Smiles: | COc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0407 |
| logD: | 3.0405 |
| logSw: | -3.5243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.343 |
| InChI Key: | UDUOZOHBOGJBEJ-UHFFFAOYSA-N |