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

Formula:C22H19N3O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2-oxopyrrolidin-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-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C22H19N3O4S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)N(CCC1)C1=O
InChI	InChI=1S/C22H19N3O4S/c26-19-9-4-12-24(19)20(27)15-29-21(28)11-10-16-14-25(17-6-2-1-3-7-17)23-22(16)18-8-5-13-30-18/h1-3,5-8,10-11,13-14H,4,9,12,15H2
InChIK	NDCIADVWROLRSD-UHFFFAOYSA-N
TotalMolweight	421.476
Molweight	421.476
MonoisotopicMass	421.109627
CLogP	2.4193
CLogS	-3.634
H Acceptors	7
TotalSurfaceArea	318.27
Relative PSA	0.28551
PolarSurfaceArea	109.74
Druglikeness	5.0078
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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