Cumyl-thpinaca rm

CAT: 0926-AGC74250-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AGC74250-01Size:10 mg

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

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CAS Number

1400742-50-8

Smiles

CC (C) (C1=CC=CC=C1) NC (=O) C2=NN (C3=CC=CC=C32) CC4CCOCC4

Molecular Formula

C23H27N3O2

Molecular Weight

377.5 g/mol

Controlled

Yes

Chemical Information

N-(1-Methyl-1-phenylethyl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-indazole-3-carboxamide

CAS Number	1400742-50-8
PubChem CID	86273679
IUPAC Name	1-(oxan-4-ylmethyl)-N-(2-phenylpropan-2-yl)indazole-3-carboxamide
Molecular Formula	C23H27N3O2
Molecular Weight	377.5
XLogP	3.8
Topological Polar Surface Area	56.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	526

SMILES

CC(C)(C1=CC=CC=C1)NC(=O)C2=NN(C3=CC=CC=C32)CC4CCOCC4

InChI

InChI=1S/C23H27N3O2/c1-23(2,18-8-4-3-5-9-18)24-22(27)21-19-10-6-7-11-20(19)26(25-21)16-17-12-14-28-15-13-17/h3-11,17H,12-16H2,1-2H3,(H,24,27)

InChIKey

HINCNLQQLQFMRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1400742-50-8

CID: 86273679

Formula: C23H27N3O2

MW: 377.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.5
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	377.21032711
Monoisotopic Mass	377.21032711
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	526
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