(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Formula:C35H24N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C35H24N2O4S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1
InChI	InChI=1S/C35H24N2O4S/c36-20-28(34-37-30(23-42-34)29-19-27-13-7-8-14-31(27)41-35(29)38)17-26-15-16-32(39-21-24-9-3-1-4-10-24)33(18-26)40-22-25-11-5-2-6-12-25/h1-19,23H,21-22H2
InChIK	FEDGIWXWTZSESX-UHFFFAOYSA-N
TotalMolweight	568.652
Molweight	568.652
MonoisotopicMass	568.145678
CLogP	6.0059
CLogS	-7.076
H Acceptors	6
TotalSurfaceArea	439.9
Relative PSA	0.19989
PolarSurfaceArea	109.68
Druglikeness	-1.4136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	42
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	5
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile | 2 - (E)-3-[3,4-bis(phenylmethoxy)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

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