GSK682753A

CAT: 0607-BA5309-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA5309-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

1334294-76-6

Form

A solid

Molecular Formula

C23H21Cl3N2O3

Molecular Weight

479.78

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Gsk682753A

CAS Number	1334294-76-6
PubChem CID	126843232
IUPAC Name	8-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-[(3,4-dichlorophenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Molecular Formula	C23H21Cl3N2O3
Molecular Weight	479.8
XLogP	5.2
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	688

SMILES

C1CN(CCC12CN(C(=O)O2)CC3=CC(=C(C=C3)Cl)Cl)C(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H21Cl3N2O3/c24-18-5-1-16(2-6-18)4-8-21(29)27-11-9-23(10-12-27)15-28(22(30)31-23)14-17-3-7-19(25)20(26)13-17/h1-8,13H,9-12,14-15H2/b8-4+

InChIKey

RDDLWMWIRXGSJM-XBXARRHUSA-N

Chemical Structure

2D Structure

CAS: 1334294-76-6

CID: 126843232

Formula: C23H21Cl3N2O3

MW: 479.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	479.8
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	478.061776
Monoisotopic Mass	478.061776
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	688
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes