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

Formula:C27H23N7OBr2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-N-[(Z)-[3,5-dibromo-4-[(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)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
MolecularFormula	C27H23N7OBr2Cl2
Smiles	Clc1cc(Cl)c(COc(c(Br)cc(/C=N\Nc2nc(N3CCCC3)nc(Nc3ccccc3)n2)c2)c2Br)cc1
InChI	InChI=1S/C27H23Br2Cl2N7O/c28-21-12-17(13-22(29)24(21)39-16-18-8-9-19(30)14-23(18)31)15-32-37-26-34-25(33-20-6-2-1-3-7-20)35-27(36-26)38-10-4-5-11-38/h1-3,6-9,12-15H,4-5,10-11,16H2,(H2,33,34,35,36,37)
InChIK	FNGOGLXJWKJIET-UHFFFAOYSA-N
TotalMolweight	692.242
Molweight	692.242
MonoisotopicMass	688.970784
CLogP	10.294
CLogS	-10.116
H Acceptors	8
H Donors	2
TotalSurfaceArea	440.2
Relative PSA	0.18376
PolarSurfaceArea	87.56
Druglikeness	2.0303
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	7
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

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

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