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
- Formal charge
- 0
- Complexity
- 943
Related reactions
8 records
Compound notes
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