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

Formula:C21H14N5OBrCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]acetamide
MolecularFormula	C21H14N5OBrCl2S2
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(s1)ccc1Br
InChI	InChI=1S/C21H14BrCl2N5OS2/c22-18-10-9-17(32-18)11-25-26-19(30)12-31-21-28-27-20(13-1-3-14(23)4-2-13)29(21)16-7-5-15(24)6-8-16/h1-11H,12H2,(H,26,30)
InChIK	LUNDIROMFLLHQC-UHFFFAOYSA-N
TotalMolweight	567.318
Molweight	567.318
MonoisotopicMass	564.920015
CLogP	6.5403
CLogS	-10.749
H Acceptors	6
H Donors	1
TotalSurfaceArea	369.89
Relative PSA	0.27757
PolarSurfaceArea	125.71
Druglikeness	3.0395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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