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

Formula:C24H17N5OBrF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C24H17N5OBrF3S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)N/N=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C24H17BrF3N5OS/c25-18-12-10-16(11-13-18)22-31-32-23(33(22)19-7-2-1-3-8-19)35-15-21(34)30-29-14-17-6-4-5-9-20(17)24(26,27)28/h1-14H,15H2,(H,30,34)
InChIK	XUORTDMAWLCAQR-UHFFFAOYSA-N
TotalMolweight	560.397
Molweight	560.397
MonoisotopicMass	559.028925
CLogP	6.1053
CLogS	-10.028
H Acceptors	6
H Donors	1
TotalSurfaceArea	372.57
Relative PSA	0.22092
PolarSurfaceArea	97.47
Druglikeness	-3.5545
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments