N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide

Formula:C29H27N5O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
MolecularFormula	C29H27N5O3
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C/c1cn(-c2ccccc2)nc1-c1cnccc1)NCC1OCCC1
InChI	InChI=1S/C29H27N5O3/c35-28(21-9-3-1-4-10-21)32-26(29(36)31-19-25-14-8-16-37-25)17-23-20-34(24-12-5-2-6-13-24)33-27(23)22-11-7-15-30-18-22/h1-7,9-13,15,17-18,20,25H,8,14,16,19H2,(H,31,36)(H,32,35)/t25-/m1/s1
InChIK	LFVBEESYUQKFPM-RUZDIDTESA-N
TotalMolweight	493.565
Molweight	493.565
MonoisotopicMass	493.21139
CLogP	2.933
CLogS	-4.769
H Acceptors	8
H Donors	2
TotalSurfaceArea	386.43
Relative PSA	0.22723
PolarSurfaceArea	98.14
Druglikeness	4.1328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.40541
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	6
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon	racemate

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