N-(3-chloro-4-methoxyphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-(3-chloro-4-methoxyphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-4302 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C18 H17 Cl N2 O3 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CCCN1C(c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7661 |
| logD: | 2.7656 |
| logSw: | -3.6428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.385 |
| InChI Key: | DAEHUGJOZRJYPP-UHFFFAOYSA-N |