N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | F222-1347 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2-propanamido-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C21 H22 Br N3 O3 S |
| Smiles: | CCC(Nc1nc2ccc(CCC(NCc3cc(ccc3OC)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4163 |
| logD: | 4.4163 |
| logSw: | -4.3999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.979 |
| InChI Key: | WQLXQBHSWQTMSV-UHFFFAOYSA-N |