(E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one

Formula:C25H20N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one
MolecularFormula	C25H20N2OS
Smiles	O=C(/C=C/c1ccccc1)n1c(SC/C=C/c2ccccc2)nc2c1cccc2
InChI	InChI=1S/C25H20N2OS/c28-24(18-17-21-12-5-2-6-13-21)27-23-16-8-7-15-22(23)26-25(27)29-19-9-14-20-10-3-1-4-11-20/h1-18H,19H2
InChIK	UGBJFXIWJPMXCH-UHFFFAOYSA-N
TotalMolweight	396.513
Molweight	396.513
MonoisotopicMass	396.129633
CLogP	6.1835
CLogS	-5.839
H Acceptors	3
TotalSurfaceArea	317.34
Relative PSA	0.15242
PolarSurfaceArea	60.19
Druglikeness	0.9525
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - (E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one | 2 - (E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one

Request More Details | (E)-3-phenyl-1-[2-[(E)-3-phenylprop-2-enyl]sulfanylbenzimidazol-1-yl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments