N-[2-(azepan-1-yl)ethyl]-4-({4-[(3-methylphenyl)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-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
N-[2-(azepan-1-yl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide
Compound characteristics
| Compound ID: | K788-7949 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-({4-[(3-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}methyl)benzamide |
| Molecular Weight: | 525.71 |
| Molecular Formula: | C32 H35 N3 O2 S |
| Smiles: | Cc1cccc(CN2C(/C(=C\c3ccc(cc3)C(NCCN3CCCCCC3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4635 |
| logD: | 5.4868 |
| logSw: | -5.3527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | RVEFLANNGIWPOW-UHFFFAOYSA-N |