Basic information
- CAS
1030377-40-2- Standard SMILES
C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1- InChIKey
GOTIIFLZZULEEL-OAHLLOKOSA-N- Molecular formula
- C23H21F2N7O
- Average molar mass
- 449.5 g/mol
- Monoisotopic mass
- 449.17756464
Names & identifiers
- Preferred name
- [(7R)-4-(6,7-difluoroquinoxalin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
- IUPAC
- [(7R)-4-(6,7-difluoroquinoxalin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
Names & synonyms
CHEMBL1083041SCHEMBL1820832DTXSID801105429BDBM503186981030377-40-2[(7R)-4-(6,7-Difluoro-2-quinoxalinyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][2-(2H-1,2,3-triazol-2-yl)phenyl]methanone6,7-Fluoro-2-{(5R)-5-Methyl-4-[2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl}quinazoline
Database identifiers
- CAS
1030377-40-2- PubChem CID
- 24965645
- DTXSID
DTXSID801105429- ChEMBL
CHEMBL1083041
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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