N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Formula:C27H31N7OBrCl Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
MolecularFormula	C27H31N7OBrCl
Smiles	Clc1ccc(COc(cc2)c(/C=N\Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2Br)cc1
InChI	InChI=1S/C27H31BrClN7O/c28-22-9-12-24(37-19-20-7-10-23(29)11-8-20)21(17-22)18-30-34-25-31-26(35-13-3-1-4-14-35)33-27(32-25)36-15-5-2-6-16-36/h7-12,17-18H,1-6,13-16,19H2,(H,31,32,33,34)
InChIK	YDHRTOCJSHIHJT-UHFFFAOYSA-N
TotalMolweight	584.948
Molweight	584.948
MonoisotopicMass	583.146196
CLogP	8.6078
CLogS	-8.23
H Acceptors	8
H Donors	1
TotalSurfaceArea	414.29
Relative PSA	0.17616
PolarSurfaceArea	78.77
Druglikeness	0.45847
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	12
Symmetricatoms	12
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

1 - N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

Request More Details | N-[(Z)-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments