N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide

Formula:C24H23N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide is a drug-like molecule.

MolNameN'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide
MolecularFormulaC24H23N4OS
SmilesCc1nsc(N=C(c2ccccc2)Nc2ccc(C)cc2)[n+]1-c(cc1)ccc1OC
InChIInChI=1S/C24H22N4OS/c1-17-9-11-20(12-10-17)25-23(19-7-5-4-6-8-19)26-24-28(18(2)27-30-24)21-13-15-22(29-3)16-14-21/h4-16H,1-3H3/p+1
InChIKWMEGIPBQFLUAQC-UHFFFAOYSA-O
TotalMolweight415.54
Molweight415.54
MonoisotopicMass415.159256
CLogP4.9714
CLogS-6.284
H Acceptors5
H Donors1
TotalSurfaceArea325.75
Relative PSA0.20586
PolarSurfaceArea78.63
Druglikeness0.018111
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstert. immonium
Shape Index0.53333
Fragments1
Non HAtoms30
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms4
Symmetricatoms6
Aromatic Nitrogens2
BasicNitrogens1
StereoCon

Request More Details | N'-[4-(4-methoxyphenyl)-3-methyl-1,2,4-thiadiazol-4-ium-5-yl]-N-(4-methylphenyl)benzenecarboximidamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments