N-(2-chloro-4-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-(2-chloro-4-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1351 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 360.86 |
| Molecular Formula: | C18 H17 Cl N2 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CCCN1C(c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9793 |
| logD: | 2.979 |
| logSw: | -3.626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.057 |
| InChI Key: | ZECXAAURMMXJPD-UHFFFAOYSA-N |