3-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C21H17N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C21H17N3O2S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c1ccc(-c2ccccc2)o1
InChI	InChI=1S/C21H17N3O2S/c25-21-19-16-8-4-5-9-18(16)27-20(19)22-13-24(21)23-12-15-10-11-17(26-15)14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9H2
InChIK	XCXCDCSEXGQYFN-UHFFFAOYSA-N
TotalMolweight	375.451
Molweight	375.451
MonoisotopicMass	375.104147
CLogP	4.6239
CLogS	-6.511
H Acceptors	5
TotalSurfaceArea	284.02
Relative PSA	0.26083
PolarSurfaceArea	86.41
Druglikeness	3.3639
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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1 - 3-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-(5-phenylfuran-2-yl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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