N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E539-0301 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H21 Br N2 O3 S |
| Smiles: | COc1ccc(cc1CNC(CCC(N1CCSc2ccccc12)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3584 |
| logD: | 3.3584 |
| logSw: | -3.6607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.126 |
| InChI Key: | AHXBOEPQHZWWOE-UHFFFAOYSA-N |