| Formula |
C22H26F3N3O4S |
| IUPAC Name |
(2r)-n-[1-(aminomethyl)cyclopropyl]-3-benzylsulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propanamide |
| Molecular Mass |
485.520 g·mol−1 |
| Heat of Formation |
-1089.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
9.08 ± 1.08 D |
| Volume |
550.66 Å 3 |
| Surface Area |
433.76 Å 2 |
| HOMO Energy |
-9.50 ± 0.55 eV |
| LUMO Energy |
-0.28 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2r)-n-[1-(aminomethyl)cyclopropyl]-3-(benzylsulfonyl)-2-[[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propionamide
- (2r)-n-[1-(aminomethyl)cyclopropyl]-3-(phenylmethylsulfonyl)-2-[[(1s)-2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]amino]propanamide
|
| InChIKey |
DWWVPKCSDHDILN-OALUTQOASA-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
|
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