3-[(6E)-6-[(2-chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide

Formula:C20H13N4O2Cl3S Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-[(6E)-6-[(2-chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide is a drug-like molecule.

MolName	3-[(6E)-6-[(2-chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide
MolecularFormula	C20H13N4O2Cl3S
Smiles	O=C(CCc(n1C2=O)nnc1S/C2=C/c(cccc1)c1Cl)Nc(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C20H13Cl3N4O2S/c21-12-5-6-14(23)15(10-12)24-18(28)8-7-17-25-26-20-27(17)19(29)16(30-20)9-11-3-1-2-4-13(11)22/h1-6,9-10H,7-8H2,(H,24,28)
InChIK	SKPZHUYUYHUEPT-UHFFFAOYSA-N
TotalMolweight	479.774
Molweight	479.774
MonoisotopicMass	477.982477
CLogP	4.984
CLogS	-6.113
H Acceptors	6
H Donors	1
TotalSurfaceArea	328.94
Relative PSA	0.25488
PolarSurfaceArea	102.18
Druglikeness	3.757
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	3
StereoCon

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1 - 3-[(6E)-6-[(2-chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide | 2 - 3-[(6E)-6-[(2-chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide

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