propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate

Formula:C29H26N3O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate is not a drug-like molecule.

MolName	propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate
MolecularFormula	C29H26N3O6Cl
Smiles	CC(C)OC(c1cccc(NC(c2cccc(NC(C(N(C3=O)c(cc(C)cc4)c4OC)=O)=C3Cl)c2)=O)c1)=O
InChI	InChI=1S/C29H26ClN3O6/c1-16(2)39-29(37)19-8-6-10-21(15-19)32-26(34)18-7-5-9-20(14-18)31-25-24(30)27(35)33(28(25)36)22-13-17(3)11-12-23(22)38-4/h5-16,31H,1-4H3,(H,32,34)
InChIK	AOULIYKDBVGSMV-UHFFFAOYSA-N
TotalMolweight	547.993
Molweight	547.993
MonoisotopicMass	547.151014
CLogP	4.4247
CLogS	-6.888
H Acceptors	9
H Donors	2
TotalSurfaceArea	403.38
Relative PSA	0.24451
PolarSurfaceArea	114.04
Druglikeness	-0.37141
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	1
Amides	2
StereoCon

Click to Load Molecule:

1 - propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate | 2 - propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate

Request More Details | propan-2-yl 3-[[3-[[4-chloro-1-(2-methoxy-5-methylphenyl)-2,5-dioxopyrrol-3-yl]amino]benzoyl]amino]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments