N-{6-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{6-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
N-{6-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | F223-1046 |
| Compound Name: | N-{6-[2-(4-bromoanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 432.34 |
| Molecular Formula: | C19 H18 Br N3 O2 S |
| Smiles: | CCCC(Nc1nc2ccc(CC(Nc3ccc(cc3)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7482 |
| logD: | 4.7478 |
| logSw: | -4.5606 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | URRKYVTVPJLFGV-UHFFFAOYSA-N |