2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Chemical Structure Depiction of
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
Compound characteristics
Compound ID: | K788-9791 |
Compound Name: | 2-benzylidene-4-[(3-methylphenyl)methyl]-3-oxo-N-[3-(propylsulfanyl)propyl]-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide |
Molecular Weight: | 516.72 |
Molecular Formula: | C30 H32 N2 O2 S2 |
Smiles: | CCCSCCCNC(c1ccc2c(c1)N(Cc1cccc(C)c1)C(/C(=C/c1ccccc1)S2)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.7984 |
logD: | 6.7984 |
logSw: | -5.5579 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.596 |
InChI Key: | IOUXAQFMBJEFMJ-UHFFFAOYSA-N |