N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-0878 |
| Compound Name: | N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C22 H24 Cl N3 O4 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(Nc3cc(c(cc3OC)OC)[Cl])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7622 |
| logD: | 4.7263 |
| logSw: | -4.866 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.803 |
| InChI Key: | ZZOQPWQWAZIBSW-UHFFFAOYSA-N |