N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8686 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-benzylidene-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 543.7 |
| Molecular Formula: | C32 H34 F N3 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0711 |
| logD: | 3.5004 |
| logSw: | -5.8719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.638 |
| InChI Key: | MCXJXPMWORNTRY-UHFFFAOYSA-N |