N-{6-[3-(3-chloroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[3-(3-chloroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[3-(3-chloroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F222-0640 |
| Compound Name: | N-{6-[3-(3-chloroanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3cccc(c3)[Cl])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0535 |
| logD: | 5.0529 |
| logSw: | -5.0024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | NUHHDUMXBBEQDG-UHFFFAOYSA-N |