3-(5-amino-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C26H17N6ClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(5-amino-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	3-(5-amino-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C26H17N6ClS2
Smiles	Nc1c(C(N2c(cc3)ccc3Cl)=NNC2=S)sc2c1c(-c1ccccc1)c(-c1ccccc1)nn2
InChI	InChI=1S/C26H17ClN6S2/c27-17-11-13-18(14-12-17)33-24(30-32-26(33)34)23-21(28)20-19(15-7-3-1-4-8-15)22(29-31-25(20)35-23)16-9-5-2-6-10-16/h1-14H,28H2,(H,32,34)
InChIK	WFGKWFKHCPMKQN-UHFFFAOYSA-N
TotalMolweight	513.048
Molweight	513.048
MonoisotopicMass	512.064461
CLogP	5.758
CLogS	-9.845
H Acceptors	6
H Donors	2
TotalSurfaceArea	368.48
Relative PSA	0.3042
PolarSurfaceArea	139.76
Druglikeness	3.1903
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	6
Amines	1
Aromatic Amines	1
Aromatic Nitrogens	2
StereoCon

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1 - 3-(5-amino-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione | 2 - 3-(5-amino-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione

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