(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C26H22N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C26H22N4O3
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1
InChI	InChI=1S/C26H22N4O3/c27-15-19(26(31)28-16-22-10-6-12-32-22)13-20-17-30(21-8-2-1-3-9-21)29-25(20)24-14-18-7-4-5-11-23(18)33-24/h1-5,7-9,11,13-14,17,22H,6,10,12,16H2,(H,28,31)/t22-/m1/s1
InChIK	GKAVNFKAQHRTST-JOCHJYFZSA-N
TotalMolweight	438.486
Molweight	438.486
MonoisotopicMass	438.169191
CLogP	3.041
CLogS	-5.312
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.7
Relative PSA	0.23211
PolarSurfaceArea	93.08
Druglikeness	-0.70589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	6
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon	racemate

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