Formula |
C19H19Cl2N5OS |
IUPAC Name |
n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide |
Molecular Mass |
436.358 g·mol−1 |
Heat of Formation |
89.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.75 ± 1.08 D |
Volume |
487.97 Å 3 |
Surface Area |
417.14 Å 2 |
HOMO Energy |
-9.09 ± 0.55 eV |
LUMO Energy |
-1.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-(2-methylamino-4-pyrimidinyl)-2-thiophenecarboxamide
- n-[(1s)-1-(aminomethyl)-2-(2,4-dichlorophenyl)ethyl]-5-(2-methylaminopyrimidin-4-yl)thiophene-2-carboxamide
- n-[(2s)-1-amino-3-(2,4-dichlorophenyl)propan-2-yl]-5-(2-methylaminopyrimidin-4-yl)thiophene-2-carboxamide
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InChIKey |
HHOVRZGUSBMKKU-ZDUSSCGKSA-N |
QR Code |
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Links |
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Elements |
C
Cl
H
O
N
S
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