[3-[(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 [3-[(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	[3-[(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/c2cc(OC(c3cccs3)=O)ccc2)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C23H20N4O3S2/c24-19-17(13-14-6-4-9-16(12-14)30-22(29)18-10-5-11-31-18)20(28)25-23-27(19)26-21(32-23)15-7-2-1-3-8-15/h4-6,9-13,15,24H,1-3,7-8H2
InChIK	PYPVSFPJXXKGRS-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	0.5625
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	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments