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C27H28N4O2 | Cheminformatics
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N-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

Molecular Formula : C27H28N4O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide is a drug-like molecule.

MolName : N-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide

MolecularFormula : C27H28N4O2

Smiles : Oc1cc2ccccc2cc1C(N/N=C(\C(C1)C2)/C3(Cc4ccccc4)CN2CCN1C3)=O

InChI : InChI=1S/C27H28N4O2/c32-24-13-21-9-5-4-8-20(21)12-23(24)26(33)29-28-25-22-15-30-10-11-31(16-22)18-27(25,17-30)14-19-6-2-1-3-7-19/h1-9,12-13,22,32H,10-11,14-18H2,(H,29,33)

InChIK : CCQSGTAQQMNCSH-UHFFFAOYSA-N

TotalMolweight : 440.545

Molweight : 440.545

MonoisotopicMass : 440.221226

CLogP : 4.0718

CLogS : -4.253

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 325.48

Relative PSA : 0.1727

PolarSurfaceArea : 68.17

Druglikeness : 6.2352

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : acyl-hydrazone

Shape Index : 0.48485

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 4

Rings Closures : 6

Small Rings : 7

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 12

Symmetricatoms : 6

Amines : 2

AlkylAmines : 2

BasicNitrogens : 2

StereoCon :

Click to Load Molecule:
1 - N-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
2 - N-[(E)-(1-benzyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
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