N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F222-0644 |
| Compound Name: | N-{6-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C22 H24 Cl N3 O4 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3cc(c(cc3OC)OC)[Cl])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5988 |
| logD: | 4.5629 |
| logSw: | -4.7222 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.59 |
| InChI Key: | RBUXMCUZGNOZPT-UHFFFAOYSA-N |