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

Formula:C21H16N5O2BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(3-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
MolecularFormula	C21H16N5O2BrS
Smiles	O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C\c1ccco1
InChI	InChI=1S/C21H16BrN5O2S/c22-16-7-4-6-15(12-16)20-25-26-21(27(20)17-8-2-1-3-9-17)30-14-19(28)24-23-13-18-10-5-11-29-18/h1-13H,14H2,(H,24,28)
InChIK	SPUPJTLWYKFEGZ-UHFFFAOYSA-N
TotalMolweight	482.361
Molweight	482.361
MonoisotopicMass	481.020806
CLogP	4.4457
CLogS	-8.932
H Acceptors	7
H Donors	1
TotalSurfaceArea	332.8
Relative PSA	0.28972
PolarSurfaceArea	110.61
Druglikeness	3.5093
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments