(2E)-2-(benzotriazol-1-yl)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-1-phenylethanone

Formula:C29H20N4OS Mutagenic:high Tumorigenic:high Reproductive Effective:none (2E)-2-(benzotriazol-1-yl)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-1-phenylethanone is not a drug-like molecule.

MolName	(2E)-2-(benzotriazol-1-yl)-2-(3,4-diphenyl-1,3-thiazol-2-ylidene)-1-phenylethanone
MolecularFormula	C29H20N4OS
Smiles	O=C(/C(/n1nnc2c1cccc2)=C1\SC=C(c2ccccc2)N1c1ccccc1)c1ccccc1
InChI	InChI=1S/C29H20N4OS/c34-28(22-14-6-2-7-15-22)27(33-25-19-11-10-18-24(25)30-31-33)29-32(23-16-8-3-9-17-23)26(20-35-29)21-12-4-1-5-13-21/h1-20H
InChIK	UWDMBULQYAAWDD-UHFFFAOYSA-N
TotalMolweight	472.571
Molweight	472.571
MonoisotopicMass	472.135781
CLogP	6.3628
CLogS	-7.754
H Acceptors	5
TotalSurfaceArea	353.53
Relative PSA	0.17789
PolarSurfaceArea	76.32
Druglikeness	-1.5645
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.37143
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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