2,4-dichloro-N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide

Formula:C26H17N5O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2,4-dichloro-N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide is not a drug-like molecule.

MolName	2,4-dichloro-N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide
MolecularFormula	C26H17N5O2Cl2S
Smiles	O=C(c(ccc(Cl)c1)c1Cl)N/N=C\c(o1)ccc1Sc1nnc(-c2ccccc2)n1-c1ccccc1
InChI	InChI=1S/C26H17Cl2N5O2S/c27-18-11-13-21(22(28)15-18)25(34)31-29-16-20-12-14-23(35-20)36-26-32-30-24(17-7-3-1-4-8-17)33(26)19-9-5-2-6-10-19/h1-16H,(H,31,34)
InChIK	ZWFJIWOKGMKLEV-UHFFFAOYSA-N
TotalMolweight	534.426
Molweight	534.426
MonoisotopicMass	533.047999
CLogP	6.6382
CLogS	-10.577
H Acceptors	7
H Donors	1
TotalSurfaceArea	391.01
Relative PSA	0.24659
PolarSurfaceArea	110.61
Druglikeness	7.2918
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2,4-dichloro-N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide | 2 - 2,4-dichloro-N-[(Z)-[5-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylideneamino]benzamide

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