N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-9037 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({4-[(2-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 564.7 |
| Molecular Formula: | C34 H32 N2 O4 S |
| Smiles: | Cc1ccccc1CN1C(/C(=C\c2ccc(cc2)C(NCCc2ccc(c(c2)OC)OC)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 6.211 |
| logD: | 6.211 |
| logSw: | -5.4426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.585 |
| InChI Key: | MIOQBPKEKRBURF-UHFFFAOYSA-N |