JNJ-61803534

CAT: 0607-BA8319-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA8319-5.1Size: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

1917306-14-9

Form

A solid

Molecular Formula

C23H23Cl2F6N3O4S

Molecular Weight

622.41

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

CID 121303394

CAS Number	1917306-14-9
PubChem CID	121303394
IUPAC Name	5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2R)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
Molecular Formula	C23H23Cl2F6N3O4S
Molecular Weight	622.4
XLogP	5.3
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Heavy Atom Count	39
Formal Charge	0
Complexity	913

SMILES

C[C@@H]1CCCN1C(=O)C2=C(SC(=N2)C(=O)NCC(C)(C)O)C3=C(C(=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)Cl)Cl

InChI

InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m1/s1

InChIKey

ZQHVEGQHOKDZEN-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 1917306-14-9

CID: 121303394

Formula: C23H23Cl2F6N3O4S

MW: 622.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	622.4
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	6
Exact Mass	621.0690518
Monoisotopic Mass	621.0690518
Topological Polar Surface Area	131 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	913
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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