(2S)-1-[(2-Methyl-2-Propanyl)Amino]-3-{[4-(4-Morpholinyl)-1,2,5-Thiadiazol-3-Yl]Oxy}-2-Propanyl Butyrate

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Properties Simple | Detailed

Formula C17H30N4O4S
IUPAC Name [(1s)-1-[(tert-butylamino)methyl]-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]ethyl] butanoate
Molecular Mass 386.510 g·mol−1
Heat of Formation -626.7 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 479.27 Å 3
Surface Area 361.32 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-[(tert-butylamino)methyl]-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]ethyl] butanoate
  • [(2s)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
  • butanoic acid [(1s)-1-[(tert-butylamino)methyl]-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]ethyl] ester
  • butanoic acid, 1-(((1,1-dimethylethyl)amino)methyl)-2-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)ethyl ester, (s)-
  • butyric acid [(1s)-1-[(tert-butylamino)methyl]-2-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]ethyl] ester
  • butyryl timolol
  • timolol butyryl ester
CAS Number(s)
  • 106351-79-5
InChIKey IGJCFKQCZRWRRM-ZDUSSCGKSA-N
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