DHODH-IN-16

CAT: 0607-BA3997-5Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0607-BA3997-5Size:5 mg

Selected

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

Quick Request Actions

CAS Number

2511248-11-4

Form

A solid

Molecular Formula

C24H25FN4O3

Molecular Weight

436.48

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dhodh-IN-16

CAS Number	2511248-11-4
PubChem CID	155209570
IUPAC Name	6-[4-ethyl-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-propan-2-ylisoquinolin-1-one
Molecular Formula	C24H25FN4O3
Molecular Weight	436.5
XLogP	3.1
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	813

SMILES

CCN1C(=NN(C1=O)C2=C(C=C3C(=C2)C(=CN(C3=O)C4=CC=CC=C4C)C(C)C)F)CO

InChI

InChI=1S/C24H25FN4O3/c1-5-27-22(13-30)26-29(24(27)32)21-11-16-17(10-19(21)25)23(31)28(12-18(16)14(2)3)20-9-7-6-8-15(20)4/h6-12,14,30H,5,13H2,1-4H3

InChIKey

BZKHQYHQHLKJNX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2511248-11-4

CID: 155209570

Formula: C24H25FN4O3

MW: 436.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	436.5
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	436.19106883
Monoisotopic Mass	436.19106883
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	813
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