(1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Formula:C22H21N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione is a drug-like molecule.

MolName	(1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
MolecularFormula	C22H21N3O3
Smiles	Cc(cc1C)cc([C@]2([C@@H]3C(N4)=O)N[C@@H](Cc5ccccc5)[C@H]3C4=O)c1NC2=O
InChI	InChI=1S/C22H21N3O3/c1-11-8-12(2)18-14(9-11)22(21(28)23-18)17-16(19(26)24-20(17)27)15(25-22)10-13-6-4-3-5-7-13/h3-9,15-17,25H,10H2,1-2H3,(H,23,28)(H,24,26,27)/t15-,16+,17+,22-/m1/s1
InChIK	VJMXBFVWROQMTF-TXXWUTRGSA-N
TotalMolweight	375.427
Molweight	375.427
MonoisotopicMass	375.158292
CLogP	1.2975
CLogS	-4.067
H Acceptors	6
H Donors	3
TotalSurfaceArea	266.34
Relative PSA	0.27596
PolarSurfaceArea	87.3
Druglikeness	3.9718
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione | 2 - (1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

Request More Details | (1S,3S,3aR,6aS)-1-benzyl-5',7'-dimethylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments