(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile

Formula:C28H23N7OS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile
MolecularFormula	C28H23N7OS
Smiles	N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C28H23N7OS/c29-19-21(18-22-20-34(23-8-3-1-4-9-23)32-26(22)25-12-7-17-37-25)27-30-31-28(33-13-15-36-16-14-33)35(27)24-10-5-2-6-11-24/h1-12,17-18,20H,13-16H2
InChIK	MPVBZCORBMMIAO-UHFFFAOYSA-N
TotalMolweight	505.605
Molweight	505.605
MonoisotopicMass	505.168478
CLogP	3.4354
CLogS	-6.96
H Acceptors	8
TotalSurfaceArea	391.18
Relative PSA	0.24061
PolarSurfaceArea	113.03
Druglikeness	1.1054
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.43243
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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1 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile | 2 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enenitrile

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