(3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

Formula:C24H23NO6 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione is a drug-like molecule.

MolName	(3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione
MolecularFormula	C24H23NO6
Smiles	O[C@H](CC([C@@H](CC[C@H]1C(N2c3cc(Oc4ccccc4)ccc3)=O)[C@H]3[C@@H]1C2=O)=O)[C@H]3O
InChI	InChI=1S/C24H23NO6/c26-18-12-19(27)22(28)20-16(18)9-10-17-21(20)24(30)25(23(17)29)13-5-4-8-15(11-13)31-14-6-2-1-3-7-14/h1-8,11,16-17,19-22,27-28H,9-10,12H2/t16-,17+,19+,20+,21-,22+/m1/s1
InChIK	PHEAPBDBIJTIRT-WTGKAQRQSA-N
TotalMolweight	421.448
Molweight	421.448
MonoisotopicMass	421.152539
CLogP	1.86
CLogS	-5.345
H Acceptors	7
H Donors	2
TotalSurfaceArea	295.05
Relative PSA	0.26731
PolarSurfaceArea	104.14
Druglikeness	2.6567
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	2
Amides	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione | 2 - (3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

Request More Details | (3aR,5aS,8R,9S,9aS,9bS)-8,9-dihydroxy-2-(3-phenoxyphenyl)-4,5,5a,7,8,9,9a,9b-octahydro-3aH-benzo[e]isoindole-1,3,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments