Basic information
- CAS
37638-89-4- Standard SMILES
CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Br)ccc21- InChIKey
GNEZQTPJBDZJGE-UHFFFAOYSA-N- Molecular formula
- C16H12BrClN2O
- Average molar mass
- 363.63 g/mol
- Monoisotopic mass
- 361.98215
Names & identifiers
- Preferred name
- 7-Bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one
- Molecular formula
- C16H12BrClN2O
- Molecular weight
- 363.64
Names & synonyms
37638-89-47-Bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one7-bromo-5-(2-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one7-bromo-5-(2-chlorophenyl)-1-methyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-oneGNEZQTPJBDZJGE-UHFFFAOYSA-NCambridge id 6748960Oprea1_854308MLS001180504CHEMBL1585617SCHEMBL11769435SCHEMBL29395499DTXSID701324511
Show more names
Benzodiazepines Intermediate 42H-1,4-Benzodiazepin-2-one,7-bromo-5-(2-chlorophenyl)-1,3-dihydro-1-methyl-
HMS2835E07MBA63889STK076824AKOS002254787SMR000477525ST50210609SR-01000488824SR-01000488824-1
Database identifiers
- CAS
37638-89-4- PubChem CID
- 632515
- DTXSID
DTXSID701324511
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
Solubility51.9 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers1 total
Hangzhou Cyanochem Co., Ltd.+86 17788583750 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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