3-[(Z)-anthracen-9-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C25H19N3OS Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-anthracen-9-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is not a drug-like molecule.

MolName	3-[(Z)-anthracen-9-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C25H19N3OS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C25H19N3OS/c29-25-23-20-11-5-6-12-22(20)30-24(23)26-15-28(25)27-14-21-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)21/h1-4,7-10,13-15H,5-6,11-12H2
InChIK	CFJNEKHGKTVELV-UHFFFAOYSA-N
TotalMolweight	409.512
Molweight	409.512
MonoisotopicMass	409.124882
CLogP	6.0738
CLogS	-8.263
H Acceptors	4
TotalSurfaceArea	303.77
Relative PSA	0.19742
PolarSurfaceArea	73.27
Druglikeness	1.3283
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	19
Sp3Atoms	4
Symmetricatoms	6
StereoCon

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1 - 3-[(Z)-anthracen-9-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-anthracen-9-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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