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

Formula:C16H14N4OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-pyridin-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-pyridin-3-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C16H14N4OS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c1cnccc1
InChI	InChI=1S/C16H14N4OS/c21-16-14-12-5-1-2-6-13(12)22-15(14)18-10-20(16)19-9-11-4-3-7-17-8-11/h3-4,7-10H,1-2,5-6H2
InChIK	AHKLGQGLLNMKCB-UHFFFAOYSA-N
TotalMolweight	310.38
Molweight	310.38
MonoisotopicMass	310.088831
CLogP	2.6841
CLogS	-4.256
H Acceptors	5
TotalSurfaceArea	233.33
Relative PSA	0.30403
PolarSurfaceArea	86.16
Druglikeness	1.3283
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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

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