N-[(3-bromophenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
N-[(3-bromophenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E539-0293 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 419.34 |
| Molecular Formula: | C19 H19 Br N2 O2 S |
| Smiles: | C(CC(N1CCSc2ccccc12)=O)C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 3.218 |
| logSw: | -3.4439 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.495 |
| InChI Key: | AWQRJCNFWZVDSY-UHFFFAOYSA-N |