5-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine

Formula:C21H14N6S Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	5-phenyl-N-[(Z)-quinoxalin-5-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-amine
MolecularFormula	C21H14N6S
Smiles	C(c1cccc2nccnc12)=N\Nc1c(c(-c2ccccc2)cs2)c2ncn1
InChI	InChI=1S/C21H14N6S/c1-2-5-14(6-3-1)16-12-28-21-18(16)20(24-13-25-21)27-26-11-15-7-4-8-17-19(15)23-10-9-22-17/h1-13H,(H,24,25,27)
InChIK	JUCQKWZBCNLYIU-UHFFFAOYSA-N
TotalMolweight	382.45
Molweight	382.45
MonoisotopicMass	382.100064
CLogP	5.7613
CLogS	-6.528
H Acceptors	6
H Donors	1
TotalSurfaceArea	289.18
Relative PSA	0.30158
PolarSurfaceArea	104.19
Druglikeness	2.86
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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