| Formula |
C33H37BrFN5O6S |
| IUPAC Name |
(z)-3-[4-[[1-[(e,1z)-3-amino-1-(bromomethylene)allyl]-3-ethyl-5-oxo-1,2,4-triazole-1,4-diium-4-yl]methyl]-3-fluoro-phenyl]but-2-ene-2-sulfonamide; ethane; 2-methylpropan-2-ol; dihydrate |
| Molecular Mass |
730.644 g·mol−1 |
| Heat of Formation |
-1051.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.26 ± 1.08 D |
| Volume |
794.77 Å 3 |
| Surface Area |
531.11 Å 2 |
| HOMO Energy |
-8.70 ± 0.55 eV |
| LUMO Energy |
2.42 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- n-[2-[4-[[1-[2-bromo-5-(1-oxopentylamino)phenyl]-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamic acid tert-butyl ester
- n-[2-[4-[[1-[2-bromo-5-(valerylamino)phenyl]-3-ethyl-5-keto-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamic acid tert-butyl ester
- tert-butyl n-[2-[4-[[1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluoro-phenyl]phenyl]sulfonylcarbamate
- tert-butyl n-[2-[4-[[1-[2-bromo-5-(pentanoylamino)phenyl]-3-ethyl-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
|
| InChIKey |
TVHACRDUPFKWBO-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
Br
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