Basic information
- Standard SMILES
O=C(C[C@@H]1CCN(C(=O)C2CC2)C1)NNC(=O)Nc1ccc(Br)cc1- InChIKey
AYHIYYUOECSBRE-NSHDSACASA-N- Molecular formula
- C17H21BrN4O3
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.0797
Names & identifiers
- Preferred name
- N-(4-bromophenyl)-2-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]acetyl}hydrazinecarboxamide
- IUPAC
- 1-(4-bromophenyl)-3-[[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]acetyl]amino]urea
Names & synonyms
SCHEMBL14152796AYHIYYUOECSBRE-NSHDSACASA-NN-(4-bromophenyl)-2-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]acetyl}hydrazinecarboxamide
Database identifiers
- PubChem CID
- 71087933
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
4 records
Compound notes
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