methyl 4-[3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanamido]benzoate
Chemical Structure Depiction of
methyl 4-[3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanamido]benzoate
methyl 4-[3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | Y041-8369 |
| Compound Name: | methyl 4-[3-(3-oxo-1,2-benzothiazol-2(3H)-yl)propanamido]benzoate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CCN1C(c2ccccc2S1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7232 |
| logD: | 2.723 |
| logSw: | -3.4702 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.929 |
| InChI Key: | CAOWBVHPVQZXMH-UHFFFAOYSA-N |