Basic information
- Standard SMILES
COc1cc(NC(=O)NNC(=O)C[C@@H]2CCN(C(=O)C3CC3)C2)ccc1Br- InChIKey
BJFDESRDCVCEGU-NSHDSACASA-N- Molecular formula
- C18H23BrN4O4
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 438.09027
Names & identifiers
- Preferred name
- N-[4-bromo-3-(methyloxy)phenyl]-2-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]acetyl}hydrazinecarboxamide
- IUPAC
- 1-(4-bromo-3-methoxyphenyl)-3-[[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]acetyl]amino]urea
Names & synonyms
SCHEMBL14152150BJFDESRDCVCEGU-NSHDSACASA-NN-[4-bromo-3-(methyloxy)phenyl]-2-{[(3S)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]acetyl}hydrazinecarboxamide
Database identifiers
- PubChem CID
- 71087558
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 572
Related reactions
4 records
Compound notes
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