(4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

Formula:C29H26N2O7S Mutagenic:none Tumorigenic:none Reproductive Effective:high (4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is not a drug-like molecule.

MolName	(4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
MolecularFormula	C29H26N2O7S
Smiles	Cc(cc1)cc2c1nc(N([C@@H](/C(/C1=O)=C(/c(cc3)ccc3OC)\O)c(cc3OC)cc(OC)c3OC)C1=O)s2
InChI	InChI=1S/C29H26N2O7S/c1-15-6-11-19-22(12-15)39-29(30-19)31-24(17-13-20(36-3)27(38-5)21(14-17)37-4)23(26(33)28(31)34)25(32)16-7-9-18(35-2)10-8-16/h6-14,24,32H,1-5H3/t24-/m1/s1
InChIK	LDWQDPNADRLBIB-XMMPIXPASA-N
TotalMolweight	546.598
Molweight	546.598
MonoisotopicMass	546.146073
CLogP	4.3006
CLogS	-5.376
H Acceptors	9
H Donors	1
TotalSurfaceArea	397.45
Relative PSA	0.28698
PolarSurfaceArea	135.66
Druglikeness	-0.16518
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.41026
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione | 2 - (4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

Request More Details | (4E,5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments