(Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

Formula:C12H14N5OBr Mutagenic:low Tumorigenic:none Reproductive Effective:none (Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName	(Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormula	C12H14N5OBr
Smiles	Brc1c(N2CCCCC2)oc(/C=N\n2cnnc2)c1
InChI	InChI=1S/C12H14BrN5O/c13-11-6-10(7-16-18-8-14-15-9-18)19-12(11)17-4-2-1-3-5-17/h6-9H,1-5H2
InChIK	CCWGJOTZCWUXQL-UHFFFAOYSA-N
TotalMolweight	324.181
Molweight	324.181
MonoisotopicMass	323.038171
CLogP	2.3266
CLogS	-6.343
H Acceptors	6
TotalSurfaceArea	218.42
Relative PSA	0.26545
PolarSurfaceArea	59.45
Druglikeness	-1.8528
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

Click to Load Molecule:

1 - (Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

Request More Details | (Z)-1-(4-bromo-5-piperidin-1-ylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments