N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide

Formula:C20H13N5O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide is a drug-like molecule.

MolName	N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide
MolecularFormula	C20H13N5O2Cl2S
Smiles	O=C(c1ccccc1)N/C(/c1nc(NC(NC2=O)=S)c2[nH]1)=C/c(cc(cc1)Cl)c1Cl
InChI	InChI=1S/C20H13Cl2N5O2S/c21-12-6-7-13(22)11(8-12)9-14(23-18(28)10-4-2-1-3-5-10)16-24-15-17(25-16)26-20(30)27-19(15)29/h1-9H,(H,23,28)(H3,24,25,26,27,29,30)
InChIK	DLDRQYXWWLRNGZ-UHFFFAOYSA-N
TotalMolweight	458.328
Molweight	458.328
MonoisotopicMass	457.016699
CLogP	3.4957
CLogS	-5.82
H Acceptors	7
H Donors	4
TotalSurfaceArea	325.75
Relative PSA	0.34818
PolarSurfaceArea	131
Druglikeness	3.1929
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide | 2 - N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide

Request More Details | N-[(E)-2-(2,5-dichlorophenyl)-1-(6-oxo-2-sulfanylidene-3,7-dihydropurin-8-yl)ethenyl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments