tert-butyl (S)-3-(4-(5-bromo-4-methoxypyrimidin-2-yl)phenyl)-2-(4-(tert-butyl)benzamido)propanoate
Basic information
- Standard SMILES
COc1nc(-c2ccc(C[C@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(=O)OC(C)(C)C)cc2)ncc1Br- InChIKey
DTBGEMRNXSAISK-QHCPKHFHSA-N- Molecular formula
- C29H34BrN3O4
- Average molar mass
- 568.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl (S)-3-(4-(5-bromo-4-methoxypyrimidin-2-yl)phenyl)-2-(4-(tert-butyl)benzamido)propanoate
- IUPAC
- tert-butyl (2S)-3-[4-(5-bromo-4-methoxypyrimidin-2-yl)phenyl]-2-[(4-tert-butylbenzoyl)amino]propanoate
Names & synonyms
SCHEMBL15037154DTBGEMRNXSAISK-QHCPKHFHSA-Ntert-butyl (S)-3-(4-(5-bromo-4-methoxypyrimidin-2-yl)phenyl)-2-(4-(tert-butyl)benzamido)propanoate
Database identifiers
- PubChem CID
- 86689697
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 749
Related reactions
6 records
Compound notes
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