1-methyl-2-[(2-methylpropoxy)carbonyl]-amino-methyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
Basic information
- Standard SMILES
CC(C)COC(=O)C1(C)C(N)N=C(c2ccccc2F)c2ccccc2N1C- InChIKey
ZHNRNRWGIHPOSM-UHFFFAOYSA-N- Molecular formula
- C22H26FN3O2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.20090524
Names & identifiers
- Preferred name
- 1-methyl-2-[(2-methylpropoxy)carbonyl]-amino-methyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
- IUPAC
- 2-methylpropyl 3-amino-5-(2-fluorophenyl)-1,2-dimethyl-3H-1,4-benzodiazepine-2-carboxylate
Names & synonyms
ZHNRNRWGIHPOSM-UHFFFAOYSA-N1-methyl-2-[(2-methylpropoxy)carbonyl]-amino-methyl-5-(2'-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepine
Database identifiers
- PubChem CID
- 86746751
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 596
Related reactions
1 records
Compound notes
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