(E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Formula:C30H22N3O2BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
MolecularFormula	C30H22N3O2BrS
Smiles	N#C/C(/C(Nc(sc1c2CCCC1)c2C#N)=O)=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Br
InChI	InChI=1S/C30H22BrN3O2S/c31-22-12-9-19(10-13-22)18-36-27-14-11-20-5-1-2-6-23(20)25(27)15-21(16-32)29(35)34-30-26(17-33)24-7-3-4-8-28(24)37-30/h1-2,5-6,9-15H,3-4,7-8,18H2,(H,34,35)
InChIK	OJVWLNTVHHQJBP-UHFFFAOYSA-N
TotalMolweight	568.494
Molweight	568.494
MonoisotopicMass	567.061608
CLogP	7.3046
CLogS	-9.576
H Acceptors	5
H Donors	1
TotalSurfaceArea	404.59
Relative PSA	0.20262
PolarSurfaceArea	114.15
Druglikeness	-7.161
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide | 2 - (E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

Request More Details | (E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments