tert-butyl (1R,2R)-2-(difluoromethyl)-1-(1-(hept-6-enyl)cyclopropylsulfonylcarbamoyl)cyclopropylcarbamate
Basic information
- Standard SMILES
C=CCCCCCC1(S(=O)(=O)NC(=O)[C@@]2(NC(=O)OC(C)(C)C)C[C@H]2C(F)F)CC1- InChIKey
RCKMGBNOLBBMBF-VBKZILBWSA-N- Molecular formula
- C20H32F2N2O5S
- Average molar mass
- 450.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (1R,2R)-2-(difluoromethyl)-1-(1-(hept-6-enyl)cyclopropylsulfonylcarbamoyl)cyclopropylcarbamate
- IUPAC
- tert-butyl N-[(1R,2R)-2-(difluoromethyl)-1-[(1-hept-6-enylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate
Names & synonyms
tert-butyl (1R,2R)-2-(difluoromethyl)-1-(1-(hept-6-enyl)cyclopropylsulfonylcarbamoyl)cyclopropylcarbamateSCHEMBL7833165
Database identifiers
- PubChem CID
- 59366236
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 769
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Related reactions
1 records
Compound notes
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