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

Formula:C27H16N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-oxochromen-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(4-oxochromen-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
MolecularFormula	C27H16N2O2S
Smiles	N#C/C(/c1nc(-c(cc2)ccc2-c2ccccc2)cs1)=C\C1=COc(cccc2)c2C1=O
InChI	InChI=1S/C27H16N2O2S/c28-15-21(14-22-16-31-25-9-5-4-8-23(25)26(22)30)27-29-24(17-32-27)20-12-10-19(11-13-20)18-6-2-1-3-7-18/h1-14,16-17H
InChIK	KQYPTPYULGGNBB-UHFFFAOYSA-N
TotalMolweight	432.502
Molweight	432.502
MonoisotopicMass	432.093248
CLogP	5.3278
CLogS	-7.093
H Acceptors	4
TotalSurfaceArea	332.62
Relative PSA	0.20423
PolarSurfaceArea	91.22
Druglikeness	-1.1019
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-3-(4-oxochromen-3-yl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments