methyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
methyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | Y042-4296 |
| Compound Name: | methyl 4-[4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamido]benzoate |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CCCN1C(c2ccccc2S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3462 |
| logD: | 2.3461 |
| logSw: | -2.9721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.929 |
| InChI Key: | CTUIAAUZEOKXDT-UHFFFAOYSA-N |