2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

Formula:C18H18N5O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
MolecularFormula	C18H18N5O2ClS
Smiles	CCn1c(SCC(N/N=C\c2ccc(C)o2)=O)nnc1-c(cc1)ccc1Cl
InChI	InChI=1S/C18H18ClN5O2S/c1-3-24-17(13-5-7-14(19)8-6-13)22-23-18(24)27-11-16(25)21-20-10-15-9-4-12(2)26-15/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIK	NZXRWUPBVPELJG-UHFFFAOYSA-N
TotalMolweight	403.893
Molweight	403.893
MonoisotopicMass	403.086972
CLogP	3.6508
CLogS	-5.581
H Acceptors	7
H Donors	1
TotalSurfaceArea	308.11
Relative PSA	0.31294
PolarSurfaceArea	110.61
Druglikeness	5.8372
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

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