N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide
Compound characteristics
| Compound ID: | C306-0251 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene}acetamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C27 H25 F N2 O4 S |
| Smiles: | COc1ccc(CCNC(/C=C2/C(N(Cc3ccccc3F)c3ccccc3S2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2899 |
| logD: | 4.2899 |
| logSw: | -4.2646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.643 |
| InChI Key: | MEBKCBCWDZYQQX-UHFFFAOYSA-N |