2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C31H26N2OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is not a drug-like molecule.

MolName	2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C31H26N2OS
Smiles	O=C(c1c(/N=C\c2c(cccc3)c3cc3ccccc23)sc2c1CCCC2)NCc1ccccc1
InChI	InChI=1S/C31H26N2OS/c34-30(32-19-21-10-2-1-3-11-21)29-26-16-8-9-17-28(26)35-31(29)33-20-27-24-14-6-4-12-22(24)18-23-13-5-7-15-25(23)27/h1-7,10-15,18,20H,8-9,16-17,19H2,(H,32,34)
InChIK	QFXZDSZVTUPFIP-UHFFFAOYSA-N
TotalMolweight	474.626
Molweight	474.626
MonoisotopicMass	474.176583
CLogP	7.4921
CLogS	-8.95
H Acceptors	3
H Donors	1
TotalSurfaceArea	367.19
Relative PSA	0.15352
PolarSurfaceArea	69.7
Druglikeness	-0.15168
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	5
Symmetricatoms	8
Amides	1
StereoCon

Click to Load Molecule:

1 - 2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Request More Details | 2-[(Z)-anthracen-9-ylmethylideneamino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments