N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1519 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 435.34 |
| Molecular Formula: | C19 H19 Br N2 O3 S |
| Smiles: | COc1ccc(cc1CNC(CCCN1C(c2ccccc2S1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.849 |
| logD: | 2.849 |
| logSw: | -3.4913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.708 |
| InChI Key: | PCWWUPDAFMTZTJ-UHFFFAOYSA-N |