N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide

Formula:C26H24N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxo-1-(3-phenoxyphenyl)prop-1-en-2-yl]benzamide
MolecularFormula	C26H24N2O5S
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c1cc(Oc2ccccc2)ccc1)NC(CC1)CS1(=O)=O
InChI	InChI=1S/C26H24N2O5S/c29-25(20-9-3-1-4-10-20)28-24(26(30)27-21-14-15-34(31,32)18-21)17-19-8-7-13-23(16-19)33-22-11-5-2-6-12-22/h1-13,16-17,21H,14-15,18H2,(H,27,30)(H,28,29)/t21-/m1/s1
InChIK	YGURKIKIAMTZAJ-OAQYLSRUSA-N
TotalMolweight	476.552
Molweight	476.552
MonoisotopicMass	476.140593
CLogP	3.4744
CLogS	-6.207
H Acceptors	7
H Donors	2
TotalSurfaceArea	354.77
Relative PSA	0.24686
PolarSurfaceArea	109.95
Druglikeness	1.0511
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.47059
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	5
Amides	2
StereoCon	racemate

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