Basic information
- CAS
1185750-66-6- Standard SMILES
COc1ccc(N(C[C@H](O)c2cc(OCc3ccccc3)cc3c2OCC(=O)N3)C(C)(C)C)cc1- InChIKey
UIUCOFGIANVQJJ-VWLOTQADSA-N- Molecular formula
- C28H32N2O5
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.23112213
Names & identifiers
- Preferred name
- 8-[(1R)-2-[(1,1-Dimethylethyl)(4-methoxyphenyl)amino]-1-hydroxyethyl]-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one
- IUPAC
- 8-[(1R)-2-(N-tert-butyl-4-methoxyanilino)-1-hydroxyethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
Names & synonyms
DTXSID2011067621185750-66-68-[(1R)-2-[(1,1-Dimethylethyl)(4-methoxyphenyl)amino]-1-hydroxyethyl]-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-one
Database identifiers
- CAS
1185750-66-6- PubChem CID
- 165367253
- DTXSID
DTXSID201106762
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 669
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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