2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one

Formula:C24H18N2O3 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one
MolecularFormula	C24H18N2O3
Smiles	O=C1N(Cc2ccccc2)C(/C=C/c(cc2)cc3c2OCO3)=Nc2c1cccc2
InChI	InChI=1S/C24H18N2O3/c27-24-19-8-4-5-9-20(19)25-23(26(24)15-18-6-2-1-3-7-18)13-11-17-10-12-21-22(14-17)29-16-28-21/h1-14H,15-16H2
InChIK	IEVUBJXEGDLXJO-UHFFFAOYSA-N
TotalMolweight	382.418
Molweight	382.418
MonoisotopicMass	382.131743
CLogP	4.3444
CLogS	-5.247
H Acceptors	5
TotalSurfaceArea	290.82
Relative PSA	0.16539
PolarSurfaceArea	51.13
Druglikeness	2.9826
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one | 2 - 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one

Request More Details | 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-benzylquinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments