4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole

Formula:C20H23N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole is a drug-like molecule.

MolName	4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole
MolecularFormula	C20H23N3OS
Smiles	CC(C)Sc1nnc(COc2c(C)cccc2)n1Cc1ccccc1
InChI	InChI=1S/C20H23N3OS/c1-15(2)25-20-22-21-19(14-24-18-12-8-7-9-16(18)3)23(20)13-17-10-5-4-6-11-17/h4-12,15H,13-14H2,1-3H3
InChIK	XJQFKFCSFPUBEY-UHFFFAOYSA-N
TotalMolweight	353.489
Molweight	353.489
MonoisotopicMass	353.156182
CLogP	4.124
CLogS	-3.033
H Acceptors	4
TotalSurfaceArea	283.79
Relative PSA	0.19839
PolarSurfaceArea	65.24
Druglikeness	3.2424
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	3
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - 4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole | 2 - 4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole

Request More Details | 4-benzyl-3-[(2-methylphenoxy)methyl]-5-propan-2-ylsulfanyl-1,2,4-triazole

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments