N-[(Z)-3-oxo-1-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C33H28N4O5 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-3-oxo-1-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is not a drug-like molecule.

MolName	N-[(Z)-3-oxo-1-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C33H28N4O5
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1cn(-c2ccccc2)nc1C1=Cc(cccc2)c2OC1=O)NCC1OCCC1
InChI	InChI=1S/C33H28N4O5/c38-31(22-10-3-1-4-11-22)35-28(32(39)34-20-26-15-9-17-41-26)19-24-21-37(25-13-5-2-6-14-25)36-30(24)27-18-23-12-7-8-16-29(23)42-33(27)40/h1-8,10-14,16,18-19,21,26H,9,15,17,20H2,(H,34,39)(H,35,38)/t26-/m1/s1
InChIK	BWIGCQHSZMCFQS-AREMUKBSSA-N
TotalMolweight	560.608
Molweight	560.608
MonoisotopicMass	560.205971
CLogP	3.3307
CLogS	-5.521
H Acceptors	9
H Donors	2
TotalSurfaceArea	426.63
Relative PSA	0.23411
PolarSurfaceArea	111.55
Druglikeness	4.2443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.38095
Fragments	1
Non HAtoms	42
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	8
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	2
StereoCon	racemate

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1 - N-[(Z)-3-oxo-1-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide | 2 - N-[(Z)-3-oxo-1-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

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