N-[(Z)-2H-chromen-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Formula:C20H18N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-2H-chromen-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-2H-chromen-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
MolecularFormula	C20H18N4OS
Smiles	C(CC1)Cc2c1sc1ncnc(N/N=C\C3=Cc(cccc4)c4OC3)c12
InChI	InChI=1S/C20H18N4OS/c1-3-7-16-14(5-1)9-13(11-25-16)10-23-24-19-18-15-6-2-4-8-17(15)26-20(18)22-12-21-19/h1,3,5,7,9-10,12H,2,4,6,8,11H2,(H,21,22,24)
InChIK	LAROIDPIXGMTDA-UHFFFAOYSA-N
TotalMolweight	362.456
Molweight	362.456
MonoisotopicMass	362.120131
CLogP	5.6754
CLogS	-6.118
H Acceptors	5
H Donors	1
TotalSurfaceArea	273.81
Relative PSA	0.2749
PolarSurfaceArea	87.64
Druglikeness	-1.6431
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	6
Aromatic Nitrogens	2
StereoCon

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1 - N-[(Z)-2H-chromen-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-2H-chromen-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

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