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

Formula:C17H14N4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(E)-(2,6-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
MolecularFormula	C17H14N4Cl2S
Smiles	Clc1cccc(Cl)c1/C=N/Nc1ncnc2c1c(CCCC1)c1s2
InChI	InChI=1S/C17H14Cl2N4S/c18-12-5-3-6-13(19)11(12)8-22-23-16-15-10-4-1-2-7-14(10)24-17(15)21-9-20-16/h3,5-6,8-9H,1-2,4,7H2,(H,20,21,23)
InChIK	STWZWWJJVVDBCK-UHFFFAOYSA-N
TotalMolweight	377.298
Molweight	377.298
MonoisotopicMass	376.03162
CLogP	7.1155
CLogS	-7.31
H Acceptors	4
H Donors	1
TotalSurfaceArea	269.68
Relative PSA	0.24203
PolarSurfaceArea	78.41
Druglikeness	-1.3257
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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

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