N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Chemical Structure Depiction of
N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
Compound characteristics
| Compound ID: | 4716-0063 |
| Compound Name: | N-{2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9907 |
| logD: | 2.9907 |
| logSw: | -3.362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.771 |
| InChI Key: | VZVBKHZFXDTCKD-UHFFFAOYSA-N |