N-[(E)-(4-phenylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Formula:C23H20N4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-(4-phenylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(E)-(4-phenylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
MolecularFormula	C23H20N4S
Smiles	C(CC1)Cc2c1sc1ncnc(N/N=C/c(cc3)ccc3-c3ccccc3)c12
InChI	InChI=1S/C23H20N4S/c1-2-6-17(7-3-1)18-12-10-16(11-13-18)14-26-27-22-21-19-8-4-5-9-20(19)28-23(21)25-15-24-22/h1-3,6-7,10-15H,4-5,8-9H2,(H,24,25,27)
InChIK	PKKMVFQKVGMGIE-UHFFFAOYSA-N
TotalMolweight	384.506
Molweight	384.506
MonoisotopicMass	384.140866
CLogP	7.5627
CLogS	-7.924
H Acceptors	4
H Donors	1
TotalSurfaceArea	298.6
Relative PSA	0.21859
PolarSurfaceArea	78.41
Druglikeness	-1.3412
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - N-[(E)-(4-phenylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine | 2 - N-[(E)-(4-phenylphenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

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