N2-(2-cyclopropylamino-4,5-difluorobenzoyl)hydrazinecarboxylic acid tert-butyl ester
Basic information
- Standard SMILES
CC(C)(C)OC(=O)NNC(=O)c1cc(F)c(F)cc1NC1CC1- InChIKey
PYICZGXYWMQQOS-UHFFFAOYSA-N- Molecular formula
- C15H19F2N3O3
- Average molar mass
- 327.33 g/mol
- Monoisotopic mass
- 327.1394478
Names & identifiers
- Preferred name
- N2-(2-cyclopropylamino-4,5-difluorobenzoyl)hydrazinecarboxylic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[2-(cyclopropylamino)-4,5-difluorobenzoyl]amino]carbamate
Names & synonyms
SCHEMBL4501900PYICZGXYWMQQOS-UHFFFAOYSA-NN2-(2-cyclopropylamino-4,5-difluorobenzoyl)hydrazinecarboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 21860880
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
3 records
Compound notes
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