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

Formula:C20H14N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-benzyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-benzyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H14N4O3S
Smiles	N=C(/C1=C/c(cc2)cc3c2OCO3)N2N=C(Cc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C20H14N4O3S/c21-18-14(8-13-6-7-15-16(9-13)27-11-26-15)19(25)22-20-24(18)23-17(28-20)10-12-4-2-1-3-5-12/h1-9,21H,10-11H2
InChIK	QJEWUPXPDDBEAK-UHFFFAOYSA-N
TotalMolweight	390.422
Molweight	390.422
MonoisotopicMass	390.078661
CLogP	2.1135
CLogS	-3.682
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.54
Relative PSA	0.33521
PolarSurfaceArea	112.64
Druglikeness	5.1586
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
BasicNitrogens	1
StereoCon

Click to Load Molecule:

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

Request More Details | (6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-benzyl-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