(R)-N-[2-Chloro-4-(phenylsulphanyl)phenyl]-2-(t-butoxycarbonylamino)propanamide
Basic information
- Standard SMILES
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Sc2ccccc2)cc1Cl- InChIKey
IOVYXXGZNLOIEJ-CYBMUJFWSA-N- Molecular formula
- C20H23ClN2O3S
- Average molar mass
- 406.9 g/mol
- Monoisotopic mass
- 406.1117915
Names & identifiers
- Preferred name
- (R)-N-[2-Chloro-4-(phenylsulphanyl)phenyl]-2-(t-butoxycarbonylamino)propanamide
- IUPAC
- tert-butyl N-[(2R)-1-(2-chloro-4-phenylsulfanylanilino)-1-oxopropan-2-yl]carbamate
Names & synonyms
SCHEMBL6347878IOVYXXGZNLOIEJ-CYBMUJFWSA-N(R)-N-[2-Chloro-4-(phenylsulphanyl)phenyl]-2-(t-butoxycarbonylamino)propanamide
Database identifiers
- PubChem CID
- 69748591
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
1 records
Compound notes
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