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

Formula:C24H22N4O4S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-(2-cyclohexyl-5-imino-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] benzenesulfonate 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] benzenesulfonate
MolecularFormula	C24H22N4O4S2
Smiles	N=C(/C1=C/c(cc2)ccc2OS(c2ccccc2)(=O)=O)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C24H22N4O4S2/c25-21-20(22(29)26-24-28(21)27-23(33-24)17-7-3-1-4-8-17)15-16-11-13-18(14-12-16)32-34(30,31)19-9-5-2-6-10-19/h2,5-6,9-15,17,25H,1,3-4,7-8H2
InChIK	MXFMLXCRBXAJEP-UHFFFAOYSA-N
TotalMolweight	494.595
Molweight	494.595
MonoisotopicMass	494.108246
CLogP	2.7832
CLogS	-3.936
H Acceptors	8
H Donors	1
TotalSurfaceArea	348.9
Relative PSA	0.31895
PolarSurfaceArea	145.93
Druglikeness	-4.9464
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.58824
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	7
BasicNitrogens	1
StereoCon

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