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

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments