2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula:C20H15N2OBrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is not a drug-like molecule.

MolName	2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
MolecularFormula	C20H15N2OBrS
Smiles	N#Cc1c(/N=C\c2ccc(-c(cc3)ccc3Br)o2)sc2c1CCCC2
InChI	InChI=1S/C20H15BrN2OS/c21-14-7-5-13(6-8-14)18-10-9-15(24-18)12-23-20-17(11-22)16-3-1-2-4-19(16)25-20/h5-10,12H,1-4H2
InChIK	QZWYETDIHRZMDY-UHFFFAOYSA-N
TotalMolweight	411.322
Molweight	411.322
MonoisotopicMass	410.008844
CLogP	5.7461
CLogS	-7.477
H Acceptors	3
TotalSurfaceArea	285.05
Relative PSA	0.20888
PolarSurfaceArea	77.53
Druglikeness	-7.3129
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | 2 - 2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Request More Details | 2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments