N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine

Formula:C25H27N7O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolNameN-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
MolecularFormulaC25H27N7O3Cl2
SmilesClc1cc(Cl)c(COc2c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cccc2)cc1
InChIInChI=1S/C25H27Cl2N7O3/c26-20-6-5-19(21(27)15-20)17-37-22-4-2-1-3-18(22)16-28-32-23-29-24(33-7-11-35-12-8-33)31-25(30-23)34-9-13-36-14-10-34/h1-6,15-16H,7-14,17H2,(H,29,30,31,32)
InChIKYUAIMKMYVRTTJS-UHFFFAOYSA-N
TotalMolweight544.441
Molweight544.441
MonoisotopicMass543.155242
CLogP6.1606
CLogS-6.354
H Acceptors10
H Donors1
TotalSurfaceArea403.56
Relative PSA0.2304
PolarSurfaceArea97.23
Druglikeness3.3122
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.51351
Fragments1
Non HAtoms37
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms12
Symmetricatoms10
Aromatic Nitrogens3
BasicNitrogens3
StereoCon

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