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

Formula:C18H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C18H15N3O3S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C18H15N3O3S/c22-18-16-12-3-1-2-4-15(12)25-17(16)19-9-21(18)20-8-11-5-6-13-14(7-11)24-10-23-13/h5-9H,1-4,10H2
InChIK	PRJBAKXYGGQOIV-UHFFFAOYSA-N
TotalMolweight	353.401
Molweight	353.401
MonoisotopicMass	353.083412
CLogP	3.7964
CLogS	-5.762
H Acceptors	6
TotalSurfaceArea	254.83
Relative PSA	0.31382
PolarSurfaceArea	91.73
Druglikeness	1.2059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
StereoCon

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

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