N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide

Formula:C24H22N4O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide is a drug-like molecule.

MolName	N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrazol-4-yl]-3-[(E)-2-phenylethenyl]sulfonylpropanamide
MolecularFormula	C24H22N4O5S
Smiles	O=C(CCS(/C=C/c1ccccc1)(=O)=O)Nc1cn(CCN(C(c2c3cccc2)=O)C3=O)nc1
InChI	InChI=1S/C24H22N4O5S/c29-22(11-15-34(32,33)14-10-18-6-2-1-3-7-18)26-19-16-25-27(17-19)12-13-28-23(30)20-8-4-5-9-21(20)24(28)31/h1-10,14,16-17H,11-13,15H2,(H,26,29)
InChIK	FJNUUASOBYPADS-UHFFFAOYSA-N
TotalMolweight	478.528
Molweight	478.528
MonoisotopicMass	478.131091
CLogP	1.0115
CLogS	-3.435
H Acceptors	9
H Donors	1
TotalSurfaceArea	352.37
Relative PSA	0.28535
PolarSurfaceArea	126.82
Druglikeness	-8.0869
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	8
Amides	2
Aromatic Nitrogens	2
StereoCon

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