Formula |
C27H25N5O2 |
IUPAC Name |
3-(1-cyano-1-methyl-ethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide |
Molecular Mass |
451.520 g·mol−1 |
Heat of Formation |
72.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.74 ± 1.08 D |
Volume |
540.88 Å 3 |
Surface Area |
473.56 Å 2 |
HOMO Energy |
-8.09 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(1-cyano-1-methyl-ethyl)-n-[3-[(4-keto-3-methyl-quinazolin-6-yl)amino]-4-methyl-phenyl]benzamide
- 3-(1-cyano-1-methyl-ethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide
- 3-(1-cyano-1-methylethyl)-n-[4-methyl-3-[(3-methyl-4-oxo-6-quinazolinyl)amino]phenyl]benzamide
- 3-(2-cyanopropan-2-yl)-n-[4-methyl-3-[(3-methyl-4-oxo-quinazolin-6-yl)amino]phenyl]benzamide
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InChIKey |
ZGBGPEDJXCYQPH-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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