Tert-butyl 2-{2-{(2-methoxyethyl)[(trans-2-methylcyclopropyl)methyl]amino}-6-[methyl(methylsulfonyl)amino]isonicotinoyl}hydrazinecarboxylate
Basic information
- Standard SMILES
COCCN(C[C@@H]1C[C@H]1C)c1cc(C(=O)NNC(=O)OC(C)(C)C)cc(N(C)S(C)(=O)=O)n1- InChIKey
SNIRQDOAWMXUJT-ZBFHGGJFSA-N- Molecular formula
- C21H35N5O6S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.23080503
Names & identifiers
- Preferred name
- Tert-butyl 2-{2-{(2-methoxyethyl)[(trans-2-methylcyclopropyl)methyl]amino}-6-[methyl(methylsulfonyl)amino]isonicotinoyl}hydrazinecarboxylate
- IUPAC
- tert-butyl N-[[2-[2-methoxyethyl-[[(1R,2R)-2-methylcyclopropyl]methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carbonyl]amino]carbamate
Names & synonyms
SCHEMBL5586088SNIRQDOAWMXUJT-ZBFHGGJFSA-Ntert-butyl 2-{2-{(2-methoxyethyl)[(trans-2-methylcyclopropyl)methyl]amino}-6-[methyl(methylsulfonyl)amino]isonicotinoyl}hydrazinecarboxylate
Database identifiers
- PubChem CID
- 69498271
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 781
Related reactions
1 records
Compound notes
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