2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C493-1392 |
| Compound Name: | 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4-[(2-chloro-4-fluorophenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 461 |
| Molecular Formula: | C24 H26 Cl F N2 O2 S |
| Smiles: | CC(C1C(N(Cc2ccc(cc2[Cl])F)c2ccccc2S1)=O)C(N1CCCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3074 |
| logD: | 5.3074 |
| logSw: | -5.7284 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.32 |
| InChI Key: | YTQXPDAZJUHOSD-UHFFFAOYSA-N |