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

Formula:C17H13N3OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C17H13N3OCl2S
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C17H13Cl2N3OS/c18-11-6-5-10(13(19)7-11)8-21-22-9-20-16-15(17(22)23)12-3-1-2-4-14(12)24-16/h5-9H,1-4H2
InChIK	JMDZKJKGTVULNC-UHFFFAOYSA-N
TotalMolweight	378.282
Molweight	378.282
MonoisotopicMass	377.015636
CLogP	4.897
CLogS	-6.523
H Acceptors	4
TotalSurfaceArea	265.41
Relative PSA	0.22595
PolarSurfaceArea	73.27
Druglikeness	1.352
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
StereoCon

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

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