2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Formula:C27H25N7OCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.

MolName	2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C27H25N7OCl2
Smiles	Clc1cc(Cl)c(COc2c(/C=N\Nc3nc(N4CCCC4)nc(Nc4ccccc4)n3)cccc2)cc1
InChI	InChI=1S/C27H25Cl2N7O/c28-21-13-12-20(23(29)16-21)18-37-24-11-5-4-8-19(24)17-30-35-26-32-25(31-22-9-2-1-3-10-22)33-27(34-26)36-14-6-7-15-36/h1-5,8-13,16-17H,6-7,14-15,18H2,(H2,31,32,33,34,35)
InChIK	NIMLLUFLDLLNJQ-UHFFFAOYSA-N
TotalMolweight	534.449
Molweight	534.449
MonoisotopicMass	533.149762
CLogP	8.844
CLogS	-8.448
H Acceptors	8
H Donors	2
TotalSurfaceArea	402.94
Relative PSA	0.20075
PolarSurfaceArea	87.56
Druglikeness	3.8203
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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1 - 2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

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