2-benzylidene-N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
| Compound ID: | K788-8708 |
| Compound Name: | 2-benzylidene-N-[3-(cyclohexylsulfanyl)propyl]-4-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
| Molecular Weight: | 560.75 |
| Molecular Formula: | C32 H33 F N2 O2 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(/C(=C/c1ccccc1)S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2898 |
| logD: | 7.2898 |
| logSw: | -6.0372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.516 |
| InChI Key: | PCRNFVGGBOIHJF-UHFFFAOYSA-N |