Formula |
C18H17Cl2F3N4O2 |
IUPAC Name |
2-(2,4-dichloroanilino)-n-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide |
Molecular Mass |
449.254 g·mol−1 |
Heat of Formation |
-825.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.50 ± 1.08 D |
Volume |
472.47 Å 3 |
Surface Area |
397.49 Å 2 |
HOMO Energy |
-9.53 ± 0.55 eV |
LUMO Energy |
-1.55 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-[(2,4-dichlorophenyl)amino]-n-(4-tetrahydropyranylmethyl)-4-(trifluoromethyl)-5-pyrimidinecarboxamide
- 2-[(2,4-dichlorophenyl)amino]-n-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
- 2-[(2,4-dichlorophenyl)amino]-n-(tetrahydropyran-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
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InChIKey |
TWQYWUXBZHPIIV-UHFFFAOYSA-N |
QR Code |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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