N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
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-yl}propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Compound characteristics
| Compound ID: | C493-0010 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[(2-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide |
| Molecular Weight: | 508.61 |
| Molecular Formula: | C28 H29 F N2 O4 S |
| Smiles: | CC(C1C(N(Cc2ccccc2F)c2ccccc2S1)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0878 |
| logD: | 4.0878 |
| logSw: | -4.1999 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.857 |
| InChI Key: | NNGIJVKGELYOPQ-UHFFFAOYSA-N |