2-[2-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]phenoxy]-N-benzylacetamide

Formula:C28H22N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]phenoxy]-N-benzylacetamide is a drug-like molecule.

MolName	2-[2-[(Z)-2-(5-amino-4-cyano-1-phenylpyrazol-3-yl)-2-cyanoethenyl]phenoxy]-N-benzylacetamide
MolecularFormula	C28H22N6O2
Smiles	Nc(n(-c1ccccc1)nc1/C(/C#N)=C/c(cccc2)c2OCC(NCc2ccccc2)=O)c1C#N
InChI	InChI=1S/C28H22N6O2/c29-16-22(27-24(17-30)28(31)34(33-27)23-12-5-2-6-13-23)15-21-11-7-8-14-25(21)36-19-26(35)32-18-20-9-3-1-4-10-20/h1-15H,18-19,31H2,(H,32,35)
InChIK	RSAGFFCMMDGWRP-UHFFFAOYSA-N
TotalMolweight	474.523
Molweight	474.523
MonoisotopicMass	474.180424
CLogP	2.4969
CLogS	-5.87
H Acceptors	8
H Donors	2
TotalSurfaceArea	383.88
Relative PSA	0.24677
PolarSurfaceArea	129.75
Druglikeness	0.1523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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