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MolName : 1,3-dioxo-N'-(pyridine-4-carbonyl)-2-[4-[(pyridine-4-carbonylamino)carbamoyl]phenyl]isoindole-5-carbohydrazide

MolecularFormula : C28H19N7O6

Smiles : O=C(c(cc1)ccc1N(C(c(cc1)c2cc1C(NNC(c1ccncc1)=O)=O)=O)C2=O)NNC(c1ccncc1)=O

InChI : InChI=1S/C28H19N7O6/c36-23(31-32-24(37)17-7-11-29-12-8-17)16-1-4-20(5-2-16)35-27(40)21-6-3-19(15-22(21)28(35)41)26(39)34-33-25(38)18-9-13-30-14-10-18/h1-15H,(H,31,36)(H,32,37)(H,33,38)(H,34,39)

InChIK : ANYXRZIZGKNXHO-UHFFFAOYSA-N

TotalMolweight : 549.502

Molweight : 549.502

MonoisotopicMass : 549.139683

CLogP : 0.403

CLogS : -5.268

H Acceptors : 13

H Donors : 4

TotalSurfaceArea : 399.2

Relative PSA : 0.37467

PolarSurfaceArea : 179.56

Druglikeness : 2.9525

Mutagenic : none

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions :

Shape Index : 0.60976

Fragments : 1

Non HAtoms : 41

NonCHAtoms : 13

Electronegative Atoms : 13

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 24

Symmetricatoms : 6

Amides : 1

Aromatic Nitrogens : 2

StereoCon :