Basic information
- CAS
1356930-51-2- Standard SMILES
N#Cc1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@@H](N)C2CCCCC2)cc1- InChIKey
KSXWQVQZPDROFY-ROUUACIJSA-N- Molecular formula
- C20H26N4O2
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.20557608
Names & identifiers
- Preferred name
- (2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
- IUPAC
- (2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-N-[(4-cyanophenyl)methyl]azetidine-2-carboxamide
- English name
- 1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4’-cyanobenzyl)-2-L-azetidinecarboxamide-d11
- Molecular formula
- C20H26N4O2
- Molecular weight
- 354.44604
Names & synonyms
1-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4a€-cyanobenzyl)-2-L-azetidinecarboxamide-d111-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4’-cyanobenzyl)-2-L-azetidinecarboxamide-d111-[(2R)-N’-Boc-2-amino-2-cyclohexylacetyl]-N-(4’-cyanobenzyl)-2-L-azetidinecarboxamide-d11(2S)-1-((2R)-2-AMino-2-cyclohexylacetyl)-N-[[4-cyanophenyl]Methyl]-2-azetidinecarboxaMide-d111-((2R)-2-Amino-2-cyclohexylacetyl)-N-(4′-cyanobenzyl)-2-L-azetidinecarboxamide-d11, CAS 1356930-51-2
Database identifiers
- CAS
1356930-51-2- PubChem CID
- 125276383
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- solubility
- Acetone, Chloroform, Dichloromethane, Ethyl Acetate, Methanol
- form
- Oil
- color
- Pale Brown
Chemistry & industry
Applications
UsesIntermediate in the preparation of labelled Ximelagatran.
Suppliers7 total
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南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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