(E)-N-benzyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C28H22N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-benzyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is a drug-like molecule.

MolName	(E)-N-benzyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C28H22N4O3
Smiles	N#C/C(/C(NCc1ccccc1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)cc2c1OCCO2
InChI	InChI=1S/C28H22N4O3/c29-17-22(28(33)30-18-20-7-3-1-4-8-20)15-23-19-32(24-9-5-2-6-10-24)31-27(23)21-11-12-25-26(16-21)35-14-13-34-25/h1-12,15-16,19H,13-14,18H2,(H,30,33)
InChIK	FXBODIPHFOXVOE-UHFFFAOYSA-N
TotalMolweight	462.508
Molweight	462.508
MonoisotopicMass	462.169191
CLogP	3.5955
CLogS	-5.281
H Acceptors	7
H Donors	1
TotalSurfaceArea	363.91
Relative PSA	0.20857
PolarSurfaceArea	89.17
Druglikeness	-6.2617
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	5
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - (E)-N-benzyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide | 2 - (E)-N-benzyl-2-cyano-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

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