N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide

Formula:C23H18N3O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide is a drug-like molecule.

MolName	N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide
MolecularFormula	C23H18N3O3Br
Smiles	O=C(c1cc(CN(C2)c(cc3)ccc3Br)c2cc1)N/N=C/c(cc1)cc2c1OCO2
InChI	InChI=1S/C23H18BrN3O3/c24-19-4-6-20(7-5-19)27-12-17-3-2-16(10-18(17)13-27)23(28)26-25-11-15-1-8-21-22(9-15)30-14-29-21/h1-11H,12-14H2,(H,26,28)
InChIK	DOKGYNBLCNTQCY-UHFFFAOYSA-N
TotalMolweight	464.318
Molweight	464.318
MonoisotopicMass	463.053153
CLogP	4.5266
CLogS	-6.862
H Acceptors	6
H Donors	1
TotalSurfaceArea	309.96
Relative PSA	0.19215
PolarSurfaceArea	63.16
Druglikeness	4.2179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

Click to Load Molecule:

1 - N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide | 2 - N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide

Request More Details | N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromophenyl)-1,3-dihydroisoindole-5-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments