2-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
2-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
2-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | D336-0254 |
| Compound Name: | 2-methoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | COc1ccccc1C(Nc1ccc2c(c1)sc(n2)SCC(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0085 |
| logD: | 3.9971 |
| logSw: | -4.1608 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.528 |
| InChI Key: | MWLVIVWZGYMFNU-UHFFFAOYSA-N |