N-[2-(azepan-1-yl)ethyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[2-(azepan-1-yl)ethyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | C700-0094 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-({4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 539.74 |
| Molecular Formula: | C33 H37 N3 O2 S |
| Smiles: | Cc1ccc(C)c(CN2C(/C(=C/c3ccc(cc3)C(NCCN3CCCCCC3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.863 |
| logD: | 5.8863 |
| logSw: | -5.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | CPMQSGBGSSIZNB-UHFFFAOYSA-N |