C20H23N3O5 | Cheminformatics

2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide

Formula:C20H23N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide is a drug-like molecule.

MolName2,4-dimethoxy-N-[(Z)-[4-(4-methoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
MolecularFormulaC20H23N3O5
SmilesC/C(/CC(Nc(cc1)ccc1OC)=O)=N/NC(c(ccc(OC)c1)c1OC)=O
InChIInChI=1S/C20H23N3O5/c1-13(11-19(24)21-14-5-7-15(26-2)8-6-14)22-23-20(25)17-10-9-16(27-3)12-18(17)28-4/h5-10,12H,11H2,1-4H3,(H,21,24)(H,23,25)
InChIKUDKPZSNYOXHAEJ-UHFFFAOYSA-N
TotalMolweight385.419
Molweight385.419
MonoisotopicMass385.163772
CLogP2.6178
CLogS-3.985
H Acceptors8
H Donors2
TotalSurfaceArea307.21
Relative PSA0.29462
PolarSurfaceArea98.25
Druglikeness3.8422
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone
Shape Index0.67857
Fragments1
Non HAtoms28
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond8
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms2
Amides1
StereoCon

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