ethyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
ethyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | E022-1345 |
| Compound Name: | ethyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate |
| Molecular Weight: | 384.45 |
| Molecular Formula: | C20 H20 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCN1C(c2ccccc2S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8569 |
| logD: | 2.8567 |
| logSw: | -3.5077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.509 |
| InChI Key: | ICCCXOWKNLSJMB-UHFFFAOYSA-N |