N'-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
Chemical Structure Depiction of
N'-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
N'-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide
Compound characteristics
| Compound ID: | K089-0063 |
| Compound Name: | N'-({3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)-3-methyl-4H-1,4-benzothiazine-2-carbohydrazide |
| Molecular Weight: | 526.45 |
| Molecular Formula: | C24 H24 Br N5 O2 S |
| Smiles: | CC1=C(C(N/N=C/c2ccc(c(Cn3c(C)c(c(C)n3)[Br])c2)OC)=O)Sc2ccccc2N1 |
| Stereo: | ACHIRAL |
| logP: | 4.4621 |
| logD: | 4.4619 |
| logSw: | -4.34 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.202 |
| InChI Key: | BTWLTRCHSGANAN-UHFFFAOYSA-N |