butyl 4-[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]benzoate
Chemical Structure Depiction of
butyl 4-[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]benzoate
butyl 4-[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C489-0315 |
| Compound Name: | butyl 4-[3-(2-oxo-1,3-benzothiazol-3(2H)-yl)propanamido]benzoate |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(CCN1C(=O)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7857 |
| logD: | 4.7851 |
| logSw: | -4.4096 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.987 |
| InChI Key: | NBXMFSNTCWJORD-UHFFFAOYSA-N |