[4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate

Formula:C23H20N4O3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.

MolName	[4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C23H20N4O3S2
Smiles	N=C(/C1=C/c(cc2)ccc2OC(c2cccs2)=O)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C23H20N4O3S2/c24-19-17(13-14-8-10-16(11-9-14)30-22(29)18-7-4-12-31-18)20(28)25-23-27(19)26-21(32-23)15-5-2-1-3-6-15/h4,7-13,15,24H,1-3,5-6H2
InChIK	POYLUJQDACYYDX-UHFFFAOYSA-N
TotalMolweight	464.569
Molweight	464.569
MonoisotopicMass	464.097681
CLogP	3.2014
CLogS	-4.642
H Acceptors	7
H Donors	1
TotalSurfaceArea	334.01
Relative PSA	0.34759
PolarSurfaceArea	148.72
Druglikeness	0.61964
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	8
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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1 - [4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] thiophene-2-carboxylate

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