RS5517

CAT: 0127-BUP05026-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05026-02Size:10 mg

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

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CAS Number

2227017-46-9

Synonyms

RS-5517, RS 5517

Smiles

O=C(NC1=CC=C(C=C1)CO)C=2NC=3C=CC(Cl)=CC3C2CC=4C=CC=CC4

Chemical Information

5-Chloro-N-[4-(hydroxymethyl)phenyl]-3-(phenylmethyl)-1H-indole-2-carboxamide

CAS Number	2227017-46-9
PubChem CID	132471415
IUPAC Name	3-benzyl-5-chloro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
Molecular Formula	C23H19ClN2O2
Molecular Weight	390.9
XLogP	4.9
Topological Polar Surface Area	65.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	517

SMILES

C1=CC=C(C=C1)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)CO

InChI

InChI=1S/C23H19ClN2O2/c24-17-8-11-21-19(13-17)20(12-15-4-2-1-3-5-15)22(26-21)23(28)25-18-9-6-16(14-27)7-10-18/h1-11,13,26-27H,12,14H2,(H,25,28)

InChIKey

FHIRYPMBXVLHTD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227017-46-9

CID: 132471415

Formula: C23H19ClN2O2

MW: 390.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	390.9
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	390.1135055
Monoisotopic Mass	390.1135055
Topological Polar Surface Area	65.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	517
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

Catalog	Name
T77655-01	RS5517