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

Formula:C19H23N7O2 Mutagenic:high Tumorigenic:high Reproductive Effective:high N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.

MolName	N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
MolecularFormula	C19H23N7O2
Smiles	C(CC1)CN1c1nc(N/N=C\c(cc2)cc3c2OCO3)nc(N2CCCC2)n1
InChI	InChI=1S/C19H23N7O2/c1-2-8-25(7-1)18-21-17(22-19(23-18)26-9-3-4-10-26)24-20-12-14-5-6-15-16(11-14)28-13-27-15/h5-6,11-12H,1-4,7-10,13H2,(H,21,22,23,24)
InChIK	XJAFCLVSBLPHNI-UHFFFAOYSA-N
TotalMolweight	381.439
Molweight	381.439
MonoisotopicMass	381.191323
CLogP	5.3559
CLogS	-5.49
H Acceptors	9
H Donors	1
TotalSurfaceArea	289.46
Relative PSA	0.28667
PolarSurfaceArea	88
Druglikeness	3.8865
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
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)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine

Request More Details | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-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