3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Formula:C29H26N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid is a drug-like molecule.

MolName	3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
MolecularFormula	C29H26N2O6
Smiles	OCC(C(C1C(N2C/C=C/c3ccccc3)=O)C2=O)(C(O)=O)NC1c(cc1)ccc1Oc1ccccc1
InChI	InChI=1S/C29H26N2O6/c32-18-29(28(35)36)24-23(26(33)31(27(24)34)17-7-10-19-8-3-1-4-9-19)25(30-29)20-13-15-22(16-14-20)37-21-11-5-2-6-12-21/h1-16,23-25,30,32H,17-18H2,(H,35,36)
InChIK	GYGKDCDNIXTMQM-UHFFFAOYSA-N
TotalMolweight	498.533
Molweight	498.533
MonoisotopicMass	498.179088
CLogP	0.2503
CLogS	-4.794
H Acceptors	8
H Donors	3
TotalSurfaceArea	365.42
Relative PSA	0.2472
PolarSurfaceArea	116.17
Druglikeness	4.4346
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	4
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	10
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon	unknown chirality

Click to Load Molecule:

1 - 3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid | 2 - 3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Request More Details | 3-(hydroxymethyl)-4,6-dioxo-1-(4-phenoxyphenyl)-5-[(E)-3-phenylprop-2-enyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments