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

Formula:C29H29N7OS Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-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-(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)prop-2-enenitrile
MolecularFormula	C29H29N7OS
Smiles	N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1c(-c2ccccc2)nc(N2CCCCC2)s1
InChI	InChI=1S/C29H29N7OS/c30-21-23(27-32-33-28(34-16-18-37-19-17-34)36(27)24-12-6-2-7-13-24)20-25-26(22-10-4-1-5-11-22)31-29(38-25)35-14-8-3-9-15-35/h1-2,4-7,10-13,20H,3,8-9,14-19H2
InChIK	MSACYGJXWVLXHS-UHFFFAOYSA-N
TotalMolweight	523.663
Molweight	523.663
MonoisotopicMass	523.215428
CLogP	4.7836
CLogS	-8.139
H Acceptors	8
TotalSurfaceArea	407.82
Relative PSA	0.22265
PolarSurfaceArea	111.34
Druglikeness	-1.7933
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.42105
Fragments	1
Non HAtoms	38
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	10
Symmetricatoms	8
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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

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