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

Formula:C18H14N3OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C18H14N3OF3S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C18H14F3N3OS/c19-18(20,21)12-7-5-11(6-8-12)9-23-24-10-22-16-15(17(24)25)13-3-1-2-4-14(13)26-16/h5-10H,1-4H2
InChIK	QAOAYABQHDFION-UHFFFAOYSA-N
TotalMolweight	377.389
Molweight	377.389
MonoisotopicMass	377.080966
CLogP	4.5333
CLogS	-5.829
H Acceptors	4
TotalSurfaceArea	264.03
Relative PSA	0.22713
PolarSurfaceArea	73.27
Druglikeness	-5.8617
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	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	4
StereoCon

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

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