N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Formula:C27H20N6O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C27H20N6O3S
Smiles	[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(N/N=C\c2cccc3ccccc23)=O)c1)=O
InChI	InChI=1S/C27H20N6O3S/c34-25(29-28-17-21-11-6-9-19-8-4-5-15-24(19)21)18-37-27-31-30-26(32(27)22-12-2-1-3-13-22)20-10-7-14-23(16-20)33(35)36/h1-17H,18H2,(H,29,34)
InChIK	RXTCETYOCQIQOF-UHFFFAOYSA-N
TotalMolweight	508.561
Molweight	508.561
MonoisotopicMass	508.131759
CLogP	4.8046
CLogS	-10.482
H Acceptors	9
H Donors	1
TotalSurfaceArea	382.75
Relative PSA	0.29453
PolarSurfaceArea	143.29
Druglikeness	0.30503
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Request More Details | N-[(Z)-naphthalen-1-ylmethylideneamino]-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments