N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Formula:C19H22N7O2Br Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C19H22N7O2Br
Smiles	Brc1c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc2OCOc2c1
InChI	InChI=1S/C19H22BrN7O2/c20-14-10-16-15(28-12-29-16)9-13(14)11-21-25-17-22-18(26-5-1-2-6-26)24-19(23-17)27-7-3-4-8-27/h9-11H,1-8,12H2,(H,22,23,24,25)
InChIK	RFRCKHGJTMRGRP-UHFFFAOYSA-N
TotalMolweight	460.335
Molweight	460.335
MonoisotopicMass	459.101834
CLogP	6.0811
CLogS	-6.324
H Acceptors	9
H Donors	1
TotalSurfaceArea	308.09
Relative PSA	0.26934
PolarSurfaceArea	88
Druglikeness	2.0965
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	9
Aromatic Nitrogens	3
BasicNitrogens	3
StereoCon

Click to Load Molecule:

1 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Request More Details | N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments