N-{6-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
Chemical Structure Depiction of
N-{6-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
N-{6-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl}propanamide
Compound characteristics
Compound ID: | F223-0775 |
Compound Name: | N-{6-[2-(4-bromo-2-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(cc3C)[Br])=O)cc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.2553 |
logD: | 4.2546 |
logSw: | -4.27 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.329 |
InChI Key: | JFKDYPVWXPAECR-UHFFFAOYSA-N |