2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

Formula:C28H25N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
MolecularFormula	C28H25N3O2
Smiles	OCCCN(C(/C=C/c1cn(Cc2ccccc2)c2c1cccc2)=Nc1c2cccc1)C2=O
InChI	InChI=1S/C28H25N3O2/c32-18-8-17-31-27(29-25-13-6-4-12-24(25)28(31)33)16-15-22-20-30(19-21-9-2-1-3-10-21)26-14-7-5-11-23(22)26/h1-7,9-16,20,32H,8,17-19H2
InChIK	BUZHOEPRVJYIBA-UHFFFAOYSA-N
TotalMolweight	435.526
Molweight	435.526
MonoisotopicMass	435.194677
CLogP	4.2786
CLogS	-4.254
H Acceptors	5
H Donors	1
TotalSurfaceArea	341.99
Relative PSA	0.14056
PolarSurfaceArea	57.83
Druglikeness	1.6784
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48485
Fragments	1
Non HAtoms	33
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one | 2 - 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

Request More Details | 2-[(E)-2-(1-benzylindol-3-yl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments