Formula |
C30H31F3N8O |
IUPAC Name |
(z)-[(e)-3-amino-1-methyl-but-2-enylidene]-[4-[[(1r,3r)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)benzoyl]ammonium; ammonia |
Molecular Mass |
576.615 g·mol−1 |
Heat of Formation |
-290.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.56 ± 1.08 D |
Volume |
664.86 Å 3 |
Surface Area |
569.8 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
1.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[(3r)-3-dimethylamino-1-pyrrolidinyl]methyl]-n-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]-3-(trifluoromethyl)benzamide
- 4-[[(3r)-3-dimethylaminopyrrolidin-1-yl]methyl]-n-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
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InChIKey |
ZGBAJMQHJDFTQJ-XMMPIXPASA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
F
O
N
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