N-[(3-bromophenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[(3-bromophenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1511 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 405.31 |
| Molecular Formula: | C18 H17 Br N2 O2 S |
| Smiles: | C(CC(NCc1cccc(c1)[Br])=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7086 |
| logD: | 2.7086 |
| logSw: | -3.4107 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.077 |
| InChI Key: | VYWTXDNTFIXILR-UHFFFAOYSA-N |