(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C28H18N2O3BrFS Mutagenic:high Tumorigenic:none Reproductive Effective:high (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione is not a drug-like molecule.

MolName	(5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C28H18N2O3BrFS
Smiles	O=C(/C(/C(N1c(cccc2)c2F)=O)=C\c(cc2)cc(Br)c2OCc2cc3ccccc3cc2)NC1=S
InChI	InChI=1S/C28H18BrFN2O3S/c29-22-15-17(10-12-25(22)35-16-18-9-11-19-5-1-2-6-20(19)13-18)14-21-26(33)31-28(36)32(27(21)34)24-8-4-3-7-23(24)30/h1-15H,16H2,(H,31,33,36)
InChIK	XWTCDGOJKKLJJH-UHFFFAOYSA-N
TotalMolweight	561.43
Molweight	561.43
MonoisotopicMass	560.020552
CLogP	5.8844
CLogS	-8.066
H Acceptors	5
H Donors	1
TotalSurfaceArea	377.3
Relative PSA	0.20962
PolarSurfaceArea	90.73
Druglikeness	0.295
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Amides	2
StereoCon

Click to Load Molecule:

1 - (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione | 2 - (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Request More Details | (5E)-5-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments