N-{6-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F223-0921 |
| Compound Name: | N-{6-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CC(Nc3ccc(cc3C)[Cl])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.775 |
| logD: | 4.7743 |
| logSw: | -4.7336 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.329 |
| InChI Key: | AQRGPXFTFOTAQM-UHFFFAOYSA-N |