2-amino-1-[(Z)-benzylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Formula:C23H18N6OS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-amino-1-[(Z)-benzylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is a drug-like molecule.

MolName	2-amino-1-[(Z)-benzylideneamino]-N-(thiophen-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
MolecularFormula	C23H18N6OS
Smiles	Nc1c(C(NCc2cccs2)=O)c2nc3ccccc3nc2n1/N=C\c1ccccc1
InChI	InChI=1S/C23H18N6OS/c24-21-19(23(30)25-14-16-9-6-12-31-16)20-22(28-18-11-5-4-10-17(18)27-20)29(21)26-13-15-7-2-1-3-8-15/h1-13H,14,24H2,(H,25,30)
InChIK	TXCACUOYERSCQK-UHFFFAOYSA-N
TotalMolweight	426.503
Molweight	426.503
MonoisotopicMass	426.126279
CLogP	3.7384
CLogS	-8.37
H Acceptors	7
H Donors	2
TotalSurfaceArea	320.89
Relative PSA	0.31304
PolarSurfaceArea	126.43
Druglikeness	7.3235
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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