(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C19H18N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C19H18N4O3S
Smiles	N=C(/C1=C\c(cc2)cc3c2OCO3)N2N=C(C3CCCCC3)SC2=NC1=O
InChI	InChI=1S/C19H18N4O3S/c20-16-13(8-11-6-7-14-15(9-11)26-10-25-14)17(24)21-19-23(16)22-18(27-19)12-4-2-1-3-5-12/h6-9,12,20H,1-5,10H2
InChIK	SFBDCKHLMNVGPJ-UHFFFAOYSA-N
TotalMolweight	382.443
Molweight	382.443
MonoisotopicMass	382.109961
CLogP	2.0157
CLogS	-3.873
H Acceptors	7
H Donors	1
TotalSurfaceArea	270.82
Relative PSA	0.34229
PolarSurfaceArea	112.64
Druglikeness	0.052626
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Request More Details | (6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments