Basic information
- CAS
104374-05-2- Standard SMILES
CC(=O)c1ccc(NC(=O)CCN2CCN(c3ccc(Br)cn3)CC2)cc1- InChIKey
TUGIYBSWNCLKBY-UHFFFAOYSA-N- Molecular formula
- C20H23BrN4O2
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 430.10044
Names & identifiers
- Preferred name
- 1-Piperazinepropanamide, N-(4-(acetylphenyl)-4-(5-bromo-2-pyridinyl)-1-perazinyl)-
- IUPAC
- N-(4-acetylphenyl)-3-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propanamide
Names & synonyms
BRN 5774599N-(4-Acetylphenyl)-3-(4-(5-bromo-2-pyridinyl)-1-piperazinyl)propanamide1-Piperazinepropanamide, N-(4-(acetylphenyl)-4-(5-bromo-2-pyridinyl)-1-perazinyl)-104374-05-2DTXSID20146439RefChem:234013DTXCID1068930CHEMBL56305AKOS006980297N-(4-acetylphenyl)-3-[4-(5-bromopyridin-2-yl)piperazin-1-yl]propanamide
Database identifiers
- CAS
104374-05-2- PubChem CID
- 3025596
- DTXSID
DTXSID20146439- ChEMBL
CHEMBL56305
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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