N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-1081 |
| Compound Name: | N-[6-(3-{[(5-bromo-2-methoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C22 H24 Br N3 O3 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(NCc3cc(ccc3OC)[Br])=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0569 |
| logD: | 5.0569 |
| logSw: | -4.7424 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.193 |
| InChI Key: | UVUPNZYXRAZHES-UHFFFAOYSA-N |