3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione

Formula:C23H22N3O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione is a drug-like molecule.

MolName	3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione
MolecularFormula	C23H22N3O5Cl
Smiles	Cc(cc1)cc(N(C(C(Nc2cc(C(N3CCOCC3)=O)ccc2)=C2Cl)=O)C2=O)c1OC
InChI	InChI=1S/C23H22ClN3O5/c1-14-6-7-18(31-2)17(12-14)27-22(29)19(24)20(23(27)30)25-16-5-3-4-15(13-16)21(28)26-8-10-32-11-9-26/h3-7,12-13,25H,8-11H2,1-2H3
InChIK	GKXJYYTYDWHIHJ-UHFFFAOYSA-N
TotalMolweight	455.897
Molweight	455.897
MonoisotopicMass	455.124799
CLogP	2.2729
CLogS	-4.267
H Acceptors	8
H Donors	1
TotalSurfaceArea	329.23
Relative PSA	0.23594
PolarSurfaceArea	88.18
Druglikeness	2.8749
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone; 3-halo-enone
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	2
StereoCon

Click to Load Molecule:

1 - 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione | 2 - 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione

Request More Details | 3-chloro-1-(2-methoxy-5-methylphenyl)-4-[3-(morpholine-4-carbonyl)anilino]pyrrole-2,5-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments