N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide
Compound characteristics
| Compound ID: | E539-0601 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-4H-1,4-benzothiazin-4-yl)-4-oxobutanamide |
| Molecular Weight: | 463.39 |
| Molecular Formula: | C21 H23 Br N2 O3 S |
| Smiles: | CC1CN(C(CCC(NCc2cc(ccc2OC)[Br])=O)=O)c2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9682 |
| logD: | 3.9682 |
| logSw: | -4.0497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.059 |
| InChI Key: | VJSHNICKEJWHCU-CQSZACIVSA-N |