(6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C24H24N4OS Mutagenic:none Tumorigenic:high Reproductive Effective:none (6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C24H24N4OS
Smiles	N=C(/C1=C/c2cccc3ccccc23)N2N=C(CCC3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C24H24N4OS/c25-22-20(15-18-11-6-10-17-9-4-5-12-19(17)18)23(29)26-24-28(22)27-21(30-24)14-13-16-7-2-1-3-8-16/h4-6,9-12,15-16,25H,1-3,7-8,13-14H2
InChIK	IJWXNNKWHQYBBE-UHFFFAOYSA-N
TotalMolweight	416.548
Molweight	416.548
MonoisotopicMass	416.167081
CLogP	4.0075
CLogS	-5.308
H Acceptors	5
H Donors	1
TotalSurfaceArea	312.68
Relative PSA	0.23251
PolarSurfaceArea	94.18
Druglikeness	0.31871
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Request More Details | (6Z)-2-(2-cyclohexylethyl)-5-imino-6-(naphthalen-1-ylmethylidene)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments