Basic information
- Standard SMILES
CN1C(=O)C(C)(C)N=C(c2ccccc2Cl)c2c1ccc(N)c2Br- InChIKey
QSHKWVMSOPXWBG-UHFFFAOYSA-N- Molecular formula
- C18H17BrClN3O
- Average molar mass
- 406.7 g/mol
Names & identifiers
- Preferred name
- 7-amino-6-bromo-5-(o-chlorophenyl)-1,3-dihydro-1,3,3-trimethyl-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-amino-6-bromo-5-(2-chlorophenyl)-1,3,3-trimethyl-1,4-benzodiazepin-2-one
Names & synonyms
SCHEMBL11138100QSHKWVMSOPXWBG-UHFFFAOYSA-N7-amino-6-bromo-5-(o-chlorophenyl)-1,3-dihydro-1,3,3-trimethyl-2H-1,4-benzodiazepin-2-one
Database identifiers
- PubChem CID
- 20506136
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Related reactions
3 records
Compound notes
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