N-{6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F222-0736 |
| Compound Name: | N-{6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CCC(Nc3ccc(cc3C)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1182 |
| logD: | 5.1173 |
| logSw: | -4.9489 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.329 |
| InChI Key: | IEENGZJYUUSHBD-UHFFFAOYSA-N |