N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine

Formula:C31H36N6 Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine is not a drug-like molecule.

MolName	N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine
MolecularFormula	C31H36N6
Smiles	C(CCC1)CCN1c1cc(N/N=C\c2c(cccc3)c3cc3ccccc23)nc(N2CCCCCC2)n1
InChI	InChI=1S/C31H36N6/c1-2-10-18-36(17-9-1)30-22-29(33-31(34-30)37-19-11-3-4-12-20-37)35-32-23-28-26-15-7-5-13-24(26)21-25-14-6-8-16-27(25)28/h5-8,13-16,21-23H,1-4,9-12,17-20H2,(H,33,34,35)
InChIK	QKMWEZPWKXUMBF-UHFFFAOYSA-N
TotalMolweight	492.669
Molweight	492.669
MonoisotopicMass	492.300144
CLogP	9.0888
CLogS	-9.202
H Acceptors	6
H Donors	1
TotalSurfaceArea	394.68
Relative PSA	0.13178
PolarSurfaceArea	56.65
Druglikeness	0.31944
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.40541
Fragments	1
Non HAtoms	37
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	12
Symmetricatoms	12
Aromatic Nitrogens	2
BasicNitrogens	2
StereoCon

Click to Load Molecule:

1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine

Request More Details | N-[(Z)-anthracen-9-ylmethylideneamino]-2,6-bis(azepan-1-yl)pyrimidin-4-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments