N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Chemical Structure Depiction of
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide
Compound characteristics
| Compound ID: | D336-0239 |
| Compound Name: | N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-phenoxyacetamide |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C21 H21 N3 O3 S2 |
| Smiles: | C1CCN(C1)C(CSc1nc2ccc(cc2s1)NC(COc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1892 |
| logD: | 4.1892 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.184 |
| InChI Key: | MLHGMMSBCZSQFJ-UHFFFAOYSA-N |