N-[2-(1,3-Benzodioxol-5-yl)ethyl]-Na(2)-(3-pyridinylmethyl)urea

HCID 45799345

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Basic information

CAS: 1209584-82-6
Standard SMILES: O=C(NCCc1ccc2c(c1)OCO2)NCc1cccnc1
InChIKey: AHTLAUXDILESKI-UHFFFAOYSA-N
Molecular formula: C16H17N3O3
Average molar mass: 299.32 g/mol
Monoisotopic mass: 299.12699141

Names & identifiers

Preferred name: N-[2-(1,3-Benzodioxol-5-yl)ethyl]-Na(2)-(3-pyridinylmethyl)urea
IUPAC: 1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(pyridin-3-ylmethyl)urea

Names & synonyms

DTXSID001184437AKOS0167705211209584-82-6Z196462814N-[2-(1,3-Benzodioxol-5-yl)ethyl]-Na(2)-(3-pyridinylmethyl)ureaN-[2-(2H-1,3-Benzodioxol-5-yl)ethyl]-N'-[(pyridin-3-yl)methyl]urea

Database identifiers

CAS: 1209584-82-6
PubChem CID: 45799345
DTXSID: DTXSID001184437

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 72.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 367

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