N-{6-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F222-0682 |
| Compound Name: | N-{6-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 415.94 |
| Molecular Formula: | C21 H22 Cl N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3ccc(C)c(c3)[Cl])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6902 |
| logD: | 5.6893 |
| logSw: | -5.9023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | ZHPCOEAMOHWJBT-UHFFFAOYSA-N |