N-[4-[[4-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide

Formula:C25H19N5O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[4-[[4-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide is not a drug-like molecule.

MolName	N-[4-[[4-[(E)-2-(3-nitrophenyl)ethenyl]pyrimidin-2-yl]sulfamoyl]phenyl]benzamide
MolecularFormula	C25H19N5O5S
Smiles	[O-][N+](c1cccc(/C=C/c2ccnc(NS(c(cc3)ccc3NC(c3ccccc3)=O)(=O)=O)n2)c1)=O
InChI	InChI=1S/C25H19N5O5S/c31-24(19-6-2-1-3-7-19)27-20-11-13-23(14-12-20)36(34,35)29-25-26-16-15-21(28-25)10-9-18-5-4-8-22(17-18)30(32)33/h1-17H,(H,27,31)(H,26,28,29)
InChIK	BTMMQLSAGODYAH-UHFFFAOYSA-N
TotalMolweight	501.522
Molweight	501.522
MonoisotopicMass	501.11069
CLogP	3.2519
CLogS	-6.348
H Acceptors	10
H Donors	2
TotalSurfaceArea	369.48
Relative PSA	0.31639
PolarSurfaceArea	155.25
Druglikeness	-0.50643
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	5
Amides	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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