Formula |
C21H26N2O5 |
IUPAC Name |
6-hydroxy-8-[(1r)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]ethyl]-4h-1,4-benzoxazin-3-one |
Molecular Mass |
386.442 g·mol−1 |
Heat of Formation |
-723.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.91 ± 1.08 D |
Volume |
463.76 Å 3 |
Surface Area |
400.3 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-0.56 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 6-hydroxy-8-[(1r)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]ethyl]-4h-1,4-benzoxazin-3-one
- 6-hydroxy-8-[(1r)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-4h-1,4-benzoxazin-3-one
- 6-hydroxy-8-[(1r)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethyl-ethyl]amino]ethyl]-4h-1,4-benzoxazin-3-one
- 6-hydroxy-8-[(1r)-1-hydroxy-2-[[2-(4-methoxyphenyl)-1,1-dimethylethyl]amino]ethyl]-4h-1,4-benzoxazin-3-one
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InChIKey |
COUYJEVMBVSIHV-SFHVURJKSA-N |
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Elements |
H
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N
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