BIX02189

CAT: 0127-BUP11710-04Size: 50 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP11710-04Size:50 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1094614-85-3

Purity

=98%

Smiles

C(NC1=CC(CN(C)C)=CC=C1)(=C2C=3C(NC2=O)=CC(C(N(C)C)=O)=CC3)C4=CC=CC=C4

Chemical Information

(Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-N,N-dimethyl-2-oxoindoline-6-carboxamide

3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide is an indolecarboxamide.

CAS Number	1094614-85-3
PubChem CID	135659062
IUPAC Name	3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamide
Molecular Formula	C27H28N4O2
Molecular Weight	440.5
XLogP	4.5
Topological Polar Surface Area	71.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	688

SMILES

CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O

InChI

InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3

InChIKey

ZGXOBLVQIVXKEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1094614-85-3

CID: 135659062

Formula: C27H28N4O2

MW: 440.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.5
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	440.22122615
Monoisotopic Mass	440.22122615
Topological Polar Surface Area	71.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	688
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP01716-01	BIX02188
BUP05003-01	(E/Z) -BIX02188