[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C26H20N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C26H20N4O4S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)N(C1)c(cccc2)c2NC1=O
InChI	InChI=1S/C26H20N4O4S/c31-23-16-29(21-10-5-4-9-20(21)27-23)24(32)17-34-25(33)13-12-18-15-30(19-7-2-1-3-8-19)28-26(18)22-11-6-14-35-22/h1-15H,16-17H2,(H,27,31)
InChIK	KZPCFVLGTXFHPT-UHFFFAOYSA-N
TotalMolweight	484.535
Molweight	484.535
MonoisotopicMass	484.120526
CLogP	2.66
CLogS	-4.999
H Acceptors	8
H Donors	1
TotalSurfaceArea	361.97
Relative PSA	0.2827
PolarSurfaceArea	121.77
Druglikeness	5.7571
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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1 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate | 2 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

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