Basic information
- Standard SMILES
Cc1cn(C)c2c1N(C(=O)CCBr)c1ccccc1NC2=O- InChIKey
XSYQXKIUJWFVCS-UHFFFAOYSA-N- Molecular formula
- C16H16BrN3O2
- Average molar mass
- 362.22 g/mol
- Monoisotopic mass
- 361.04259
Names & identifiers
- Preferred name
- 4-(3-Bromopropionyl)-1,3-dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one
- IUPAC
- 10-(3-bromopropanoyl)-1,3-dimethyl-5H-pyrrolo[2,3-c][1,5]benzodiazepin-4-one
Names & synonyms
SCHEMBL10967389XSYQXKIUJWFVCS-UHFFFAOYSA-N4-(3-Bromopropionyl)-1,3-dimethyl-1,4,9,10-tetrahydropyrrolo[3,2-b][1,5]benzodiazepin-10-one
Database identifiers
- PubChem CID
- 20515487
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 459
Related reactions
6 records
Compound notes
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