N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Formula:C22H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
MolecularFormula	C22H22N4O2
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)NCCCn1cncc1
InChI	InChI=1S/C22H22N4O2/c27-21(19-10-5-2-6-11-19)25-20(16-18-8-3-1-4-9-18)22(28)24-12-7-14-26-15-13-23-17-26/h1-6,8-11,13,15-17H,7,12,14H2,(H,24,28)(H,25,27)
InChIK	KMIYIADPPURUNQ-UHFFFAOYSA-N
TotalMolweight	374.443
Molweight	374.443
MonoisotopicMass	374.174276
CLogP	2.8072
CLogS	-3.051
H Acceptors	6
H Donors	2
TotalSurfaceArea	305.15
Relative PSA	0.21904
PolarSurfaceArea	76.02
Druglikeness	6.1601
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

Request More Details | N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments