AL 1965

HCID 182602

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Basic information

CAS: 39113-89-8
Standard SMILES: O=C1N(CCN2CCC3(CC2)OCCO3)CCN1c1cc(Cl)cc(Cl)c1
InChIKey: MMTXDKNRPSSVDS-UHFFFAOYSA-N
Molecular formula: C18H23Cl2N3O3
Average molar mass: 400.3 g/mol
Monoisotopic mass: 399.111647

Overview

structure

Names & identifiers

Preferred name: AL 1965
IUPAC: 1-(3,5-dichlorophenyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]imidazolidin-2-one

Names & synonyms

AL 196539113-89-8AL-19652-Imidazolidinone, 1-(3,5-dichlorophenyl)-3-(2-(1,4-dioxa-8-azaspiro(4.5)dec-8-yl)ethyl)-DTXSID70192365RefChem:110396DTXCID801148561-(3,5-dichlorophenyl)-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethyl]imidazolidin-2-oneorb1698600AKOS040750274T29808

Database identifiers

CAS: 39113-89-8
PubChem CID: 182602
DTXSID: DTXSID70192365

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 45.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 498

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