1-(7,8-Bis(4-chlorophenyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamide

HCID 58772845

Basic information

Standard SMILES
CCNC1(C(N)=O)CN(c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c3n[nH]c(=O)n23)C1
InChIKey
AGXGEPIPRJZVQN-UHFFFAOYSA-N
Molecular formula
C23H21Cl2N7O2
Average molar mass
498.4 g/mol
Monoisotopic mass
497.1133783

Names & identifiers

Preferred name
1-(7,8-Bis(4-chlorophenyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamide
IUPAC
1-[7,8-bis(4-chlorophenyl)-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-(ethylamino)azetidine-3-carboxamide

Names & synonyms

SCHEMBL4839896AGXGEPIPRJZVQN-UHFFFAOYSA-N1-(7,8-bis(4-chlorophenyl)-3-oxo-2,3-dihydro-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-3-(ethylamino)azetidine-3-carboxamide

Database identifiers

PubChem CID
58772845

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
115 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
34

Related reactions

8 records

Compound notes

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