2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Formula:C25H18N3O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide is a drug-like molecule.

MolName	2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide
MolecularFormula	C25H18N3O4FS
Smiles	O=C(COc1ccc(/C=C(\C(NC(N2c(cc3)ccc3F)=S)=O)/C2=O)cc1)Nc1ccccc1
InChI	InChI=1S/C25H18FN3O4S/c26-17-8-10-19(11-9-17)29-24(32)21(23(31)28-25(29)34)14-16-6-12-20(13-7-16)33-15-22(30)27-18-4-2-1-3-5-18/h1-14H,15H2,(H,27,30)(H,28,31,34)
InChIK	GCYCVNIISWHJHK-UHFFFAOYSA-N
TotalMolweight	475.499
Molweight	475.499
MonoisotopicMass	475.100205
CLogP	3.3391
CLogS	-5.577
H Acceptors	7
H Donors	2
TotalSurfaceArea	353.28
Relative PSA	0.29322
PolarSurfaceArea	119.83
Druglikeness	2.2734
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; thio-amide/urea
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	6
Amides	3
StereoCon

Click to Load Molecule:

1 - 2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide | 2 - 2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Request More Details | 2-[4-[(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]-N-phenylacetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments