(2-oxo-2-piperidin-1-ylethyl) (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C23H23N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2-oxo-2-piperidin-1-ylethyl) (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	(2-oxo-2-piperidin-1-ylethyl) (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C23H23N3O3S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)N1CCCCC1
InChI	InChI=1S/C23H23N3O3S/c27-21(25-13-5-2-6-14-25)17-29-22(28)12-11-18-16-26(19-8-3-1-4-9-19)24-23(18)20-10-7-15-30-20/h1,3-4,7-12,15-16H,2,5-6,13-14,17H2
InChIK	ZMYDSZMBJPPVOL-UHFFFAOYSA-N
TotalMolweight	421.52
Molweight	421.52
MonoisotopicMass	421.146012
CLogP	3.3275
CLogS	-3.922
H Acceptors	6
TotalSurfaceArea	328.04
Relative PSA	0.23726
PolarSurfaceArea	92.67
Druglikeness	3.3991
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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