N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3,4-dimethoxybenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | D336-6081 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C(Nc1ccc2c(c1)sc(n2)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6028 |
| logD: | 2.6027 |
| logSw: | -3.2087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.06 |
| InChI Key: | YCMPRFQVNFEKJY-UHFFFAOYSA-N |