3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Formula:C19H17N3OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a drug-like molecule.

MolName	3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MolecularFormula	C19H17N3OS
Smiles	O=C(c1c(N=C2)sc3c1CCCC3)N2/N=C\C=C\c1ccccc1
InChI	InChI=1S/C19H17N3OS/c23-19-17-15-10-4-5-11-16(15)24-18(17)20-13-22(19)21-12-6-9-14-7-2-1-3-8-14/h1-3,6-9,12-13H,4-5,10-11H2
InChIK	KAEGEWIEAGTEMW-UHFFFAOYSA-N
TotalMolweight	335.43
Molweight	335.43
MonoisotopicMass	335.109232
CLogP	3.7033
CLogS	-5.343
H Acceptors	4
TotalSurfaceArea	261.07
Relative PSA	0.22971
PolarSurfaceArea	73.27
Druglikeness	1.3358
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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1 - 3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one | 2 - 3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

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