N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(3-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(3-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(3-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
Compound characteristics
| Compound ID: | V004-3213 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(3-methoxyphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C26 H28 N2 O3 S |
| Smiles: | COc1cccc(CN2C(/C(=C\C(NCCC3CCCCC=3)=O)Sc3ccccc23)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0582 |
| logD: | 5.0582 |
| logSw: | -4.5067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.118 |
| InChI Key: | CQZYLVOLCLVSQQ-UHFFFAOYSA-N |