1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide

Formula:C21H17N8O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide is a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide
MolecularFormula	C21H17N8O2ClS
Smiles	Nc1nonc1-n1nnc(C(N/N=C(\CC2)/c3c2cccc3)=O)c1CSc(cc1)ccc1Cl
InChI	InChI=1S/C21H17ClN8O2S/c22-13-6-8-14(9-7-13)33-11-17-18(25-29-30(17)20-19(23)27-32-28-20)21(31)26-24-16-10-5-12-3-1-2-4-15(12)16/h1-4,6-9H,5,10-11H2,(H2,23,27)(H,26,31)
InChIK	JJZCQZSACJWDJF-UHFFFAOYSA-N
TotalMolweight	480.939
Molweight	480.939
MonoisotopicMass	480.088369
CLogP	4.6475
CLogS	-5.296
H Acceptors	10
H Donors	2
TotalSurfaceArea	347.86
Relative PSA	0.38415
PolarSurfaceArea	162.41
Druglikeness	0.48612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	5
StereoCon

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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chlorophenyl)sulfanylmethyl]-N-[(E)-2,3-dihydroinden-1-ylideneamino]triazole-4-carboxamide

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