N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Formula:C25H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
MolecularFormula	C25H18N4O3S
Smiles	[O-][N+](c(cc1)cc2c1sc(C(N/N=C\c1cn(Cc3ccccc3)c3c1cccc3)=O)c2)=O
InChI	InChI=1S/C25H18N4O3S/c30-25(24-13-18-12-20(29(31)32)10-11-23(18)33-24)27-26-14-19-16-28(15-17-6-2-1-3-7-17)22-9-5-4-8-21(19)22/h1-14,16H,15H2,(H,27,30)
InChIK	ZSAYPJPFUDOBMZ-UHFFFAOYSA-N
TotalMolweight	454.509
Molweight	454.509
MonoisotopicMass	454.109961
CLogP	4.7309
CLogS	-6.508
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.52
Relative PSA	0.27667
PolarSurfaceArea	120.45
Druglikeness	2.1196
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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