Triazolo-benzophenone
Basic information
- CAS
64194-73-6- Standard SMILES
Cc1nnc(CNC(=O)CN)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl- InChIKey
WUMXPIHYXXKRBU-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2N5O2
- Average molar mass
- 418.3 g/mol
- Monoisotopic mass
- 417.0759302
Overview
structure given in first source
Names & identifiers
- Preferred name
- Triazolo-benzophenone
- IUPAC
- 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]acetamide
- English name
- triazolo-benzophenone
- Molecular formula
- C19H17Cl2N5O2
- Molecular weight
- 418.28
Names & synonyms
Triazolo-benzophenone64194-73-6DTXSID702143992',5-Dichloro-2-(3-glycylaminomethyl-5-methyl-4H-1,2,4-triazol-4-yl) benzophenoneAcetamide, 2-amino-N-((4-(4-chloro-2-(2-chlorobenzoyl)phenyl)-5-methyl-4H-1,2,4-triazol-3-yl)methyl)-RefChem:190873DTXCID201368902-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]methyl]acetamiden-({4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-4h-1,2,4-triazol-3-yl}methyl)glycinamideCHEMBL287260SCHEMBL11307018Acetamide, 2-amino-N-[[4-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-methyl-4H-1,2,4-triazol-3-yl]methyl]-
Database identifiers
- CAS
64194-73-6- PubChem CID
- 163036
- DTXSID
DTXSID70214399- ChEMBL
CHEMBL287260
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 566
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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