2-[(E)-4-anilino-4-oxobut-1-enyl]-N-phenyl-1,2,4-triazole-3-carboxamide

Formula:C19H17N5O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-4-anilino-4-oxobut-1-enyl]-N-phenyl-1,2,4-triazole-3-carboxamide is a drug-like molecule.

MolName	2-[(E)-4-anilino-4-oxobut-1-enyl]-N-phenyl-1,2,4-triazole-3-carboxamide
MolecularFormula	C19H17N5O2
Smiles	O=C(C/C=C/n1ncnc1C(Nc1ccccc1)=O)Nc1ccccc1
InChI	InChI=1S/C19H17N5O2/c25-17(22-15-8-3-1-4-9-15)12-7-13-24-18(20-14-21-24)19(26)23-16-10-5-2-6-11-16/h1-11,13-14H,12H2,(H,22,25)(H,23,26)
InChIK	NGCIJLCYALHEQI-UHFFFAOYSA-N
TotalMolweight	347.377
Molweight	347.377
MonoisotopicMass	347.138225
CLogP	1.9244
CLogS	-3.403
H Acceptors	7
H Donors	2
TotalSurfaceArea	278.18
Relative PSA	0.27971
PolarSurfaceArea	88.91
Druglikeness	4.8562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
Amides	2
Aromatic Nitrogens	3
StereoCon

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1 - 2-[(E)-4-anilino-4-oxobut-1-enyl]-N-phenyl-1,2,4-triazole-3-carboxamide | 2 - 2-[(E)-4-anilino-4-oxobut-1-enyl]-N-phenyl-1,2,4-triazole-3-carboxamide

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