DBCO-Maleimide

CAT: 0024-sc-497061Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497061Size:50 mg

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CAS Number

1395786-30-7

Chemical Information

DBCO-Maleimide

CAS Number	1395786-30-7
PubChem CID	77078149
IUPAC Name	N-[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
Molecular Formula	C25H21N3O4
Molecular Weight	427.5
XLogP	1.3
Topological Polar Surface Area	86.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	849

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)CCN4C(=O)C=CC4=O

InChI

InChI=1S/C25H21N3O4/c29-22(14-16-27-23(30)11-12-24(27)31)26-15-13-25(32)28-17-20-7-2-1-5-18(20)9-10-19-6-3-4-8-21(19)28/h1-8,11-12H,13-17H2,(H,26,29)

InChIKey

NHFQNAGPXIVKND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1395786-30-7

CID: 77078149

Formula: C25H21N3O4

MW: 427.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	427.5
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	427.15320616
Monoisotopic Mass	427.15320616
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	849
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