4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

Formula:C24H18N2O7 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H18N2O7
Smiles	OC(c1ccc(COc2c(/C=C(\C(NC(N3Cc4ccco4)=O)=O)/C3=O)cccc2)cc1)=O
InChI	InChI=1S/C24H18N2O7/c27-21-19(22(28)26(24(31)25-21)13-18-5-3-11-32-18)12-17-4-1-2-6-20(17)33-14-15-7-9-16(10-8-15)23(29)30/h1-12H,13-14H2,(H,29,30)(H,25,27,31)
InChIK	GHVNSFSCERKUAP-UHFFFAOYSA-N
TotalMolweight	446.414
Molweight	446.414
MonoisotopicMass	446.111403
CLogP	2.1002
CLogS	-4.401
H Acceptors	9
H Donors	2
TotalSurfaceArea	330.31
Relative PSA	0.31601
PolarSurfaceArea	126.15
Druglikeness	5.4007
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

Request More Details | 4-[[2-[(E)-[1-(furan-2-ylmethyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments