2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

Formula:C27H26N6O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
MolecularFormula	C27H26N6O2S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cc1)ccc1N1CCOCC1
InChI	InChI=1S/C27H26N6O2S/c34-25(29-28-19-21-11-13-23(14-12-21)32-15-17-35-18-16-32)20-36-27-31-30-26(22-7-3-1-4-8-22)33(27)24-9-5-2-6-10-24/h1-14,19H,15-18,20H2,(H,29,34)
InChIK	PJZOKIKLGRDJIP-UHFFFAOYSA-N
TotalMolweight	498.609
Molweight	498.609
MonoisotopicMass	498.183794
CLogP	4.2008
CLogS	-8.519
H Acceptors	8
H Donors	1
TotalSurfaceArea	386.32
Relative PSA	0.24814
PolarSurfaceArea	109.94
Druglikeness	5.5142
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	7
Symmetricatoms	8
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	3
StereoCon

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1 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide

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