(E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

Formula:C29H27N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
MolecularFormula	C29H27N3O3S
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N(Cc1ccccc1)C(CC1)CS1(=O)=O
InChI	InChI=1S/C29H27N3O3S/c33-28(31(20-23-10-4-1-5-11-23)27-18-19-36(34,35)22-27)17-16-25-21-32(26-14-8-3-9-15-26)30-29(25)24-12-6-2-7-13-24/h1-17,21,27H,18-20,22H2/t27-/m1/s1
InChIK	KWFZXQKUFAUMFF-HHHXNRCGSA-N
TotalMolweight	497.617
Molweight	497.617
MonoisotopicMass	497.177312
CLogP	3.3949
CLogS	-5.009
H Acceptors	6
TotalSurfaceArea	377.67
Relative PSA	0.16684
PolarSurfaceArea	80.65
Druglikeness	2.2899
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	36
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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