Basic information
- Standard SMILES
C[C@H](NC(=O)c1cc(Cl)cnc1Cl)c1ccc(C(=O)OC(C)(C)C)cc1- InChIKey
MIMRLFVDYCOFBP-NSHDSACASA-N- Molecular formula
- C19H20Cl2N2O3
- Average molar mass
- 395.3 g/mol
- Monoisotopic mass
- 394.0850979
Names & identifiers
- Preferred name
- tert-butyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate
- IUPAC
- tert-butyl 4-[(1S)-1-[(2,5-dichloropyridine-3-carbonyl)amino]ethyl]benzoate
Names & synonyms
SCHEMBL4449311MIMRLFVDYCOFBP-NSHDSACASA-Ntert-butyl 4-((1S)-1-{[(2,5-dichloropyridin-3-yl)carbonyl]amino}ethyl)benzoate
Database identifiers
- PubChem CID
- 57572256
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 502
Related reactions
18 records
Compound notes
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