N-{6-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
Chemical Structure Depiction of
N-{6-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
N-{6-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
Compound characteristics
| Compound ID: | F223-0745 |
| Compound Name: | N-{6-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide |
| Molecular Weight: | 432.34 |
| Molecular Formula: | C19 H18 Br N3 O2 S |
| Smiles: | CCC(Nc1nc2ccc(CC(Nc3ccc(c(C)c3)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6116 |
| logD: | 4.6114 |
| logSw: | -4.4139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.027 |
| InChI Key: | CYHAVGBCOOZKQL-UHFFFAOYSA-N |