TC-O 9311

CAT: 0024-sc-362802ASize: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-362802ASize:50 mg

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CAS Number

444932-31-4

Chemical Information

2-(3,5-Dimethoxybenzoyl)-N-(naphthalen-1-yl)hydrazinecarboxamide

CAS Number	444932-31-4
PubChem CID	3376937
IUPAC Name	1-[(3,5-dimethoxybenzoyl)amino]-3-naphthalen-1-ylurea
Molecular Formula	C20H19N3O4
Molecular Weight	365.4
XLogP	3.3
Topological Polar Surface Area	88.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	503

SMILES

COC1=CC(=CC(=C1)C(=O)NNC(=O)NC2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C20H19N3O4/c1-26-15-10-14(11-16(12-15)27-2)19(24)22-23-20(25)21-18-9-5-7-13-6-3-4-8-17(13)18/h3-12H,1-2H3,(H,22,24)(H2,21,23,25)

InChIKey

KPTMSQHTGZMEFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 444932-31-4

CID: 3376937

Formula: C20H19N3O4

MW: 365.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	365.4
XLogP3	3.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	365.13755610
Monoisotopic Mass	365.13755610
Topological Polar Surface Area	88.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	503
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