2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide

Formula:C25H24N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide is a drug-like molecule.

MolName	2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide
MolecularFormula	C25H24N4O2S
Smiles	Cc1cccc(OCc(n2C)nnc2SCC(N(c2ccccc2)c2ccccc2)=O)c1
InChI	InChI=1S/C25H24N4O2S/c1-19-10-9-15-22(16-19)31-17-23-26-27-25(28(23)2)32-18-24(30)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-16H,17-18H2,1-2H3
InChIK	YVWFBQZMANZRST-UHFFFAOYSA-N
TotalMolweight	444.558
Molweight	444.558
MonoisotopicMass	444.161996
CLogP	3.6546
CLogS	-5.017
H Acceptors	6
TotalSurfaceArea	346.84
Relative PSA	0.21015
PolarSurfaceArea	85.55
Druglikeness	3.9458
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	8
Amides	1
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide | 2 - 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide

Request More Details | 2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N,N-diphenylacetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments