N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
Compound characteristics
| Compound ID: | C493-0623 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide |
| Molecular Weight: | 452.59 |
| Molecular Formula: | C26 H29 F N2 O2 S |
| Smiles: | CC(C1C(N(Cc2ccc(cc2)F)c2ccccc2S1)=O)C(NCCC1CCCCC=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8299 |
| logD: | 4.8299 |
| logSw: | -4.3398 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.788 |
| InChI Key: | YHSHVCOSYYFXHC-UHFFFAOYSA-N |