N,N'-bis[(Z)-naphthalen-2-ylmethylideneamino]butanediamide

Formula:C26H22N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-naphthalen-2-ylmethylideneamino]butanediamide is not a drug-like molecule.

MolNameN,N'-bis[(Z)-naphthalen-2-ylmethylideneamino]butanediamide
MolecularFormulaC26H22N4O2
SmilesO=C(CCC(N/N=C\c1cc2ccccc2cc1)=O)N/N=C\c1cc2ccccc2cc1
InChIInChI=1S/C26H22N4O2/c31-25(29-27-17-19-9-11-21-5-1-3-7-23(21)15-19)13-14-26(32)30-28-18-20-10-12-22-6-2-4-8-24(22)16-20/h1-12,15-18H,13-14H2,(H,29,31)(H,30,32)
InChIKPSFWZQKGOPNSHJ-UHFFFAOYSA-N
TotalMolweight422.487
Molweight422.487
MonoisotopicMass422.174276
CLogP5.836
CLogS-7.87
H Acceptors6
H Donors2
TotalSurfaceArea337.68
Relative PSA0.21328
PolarSurfaceArea82.92
Druglikeness3.0152
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.6875
Fragments1
Non HAtoms32
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms2
Symmetricatoms16
StereoCon

Request More Details | N,N'-bis[(Z)-naphthalen-2-ylmethylideneamino]butanediamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments