Formula |
C24H28ClN5O3 |
IUPAC Name |
3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea |
Molecular Mass |
469.964 g·mol−1 |
Heat of Formation |
-324.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.13 ± 1.08 D |
Volume |
552.92 Å 3 |
Surface Area |
449.72 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
-0.42 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-(2-chlorobenzyl)-1-(2-{[(1s)-2-hydroxy-1,2-dimethylpropyl]amino}pyrimidin-4-yl)-1-(4-methoxyphenyl)urea
- 3-(2-chlorobenzyl)-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
- 3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
- 3-[(2-chlorophenyl)methyl]-1-[2-[[(1s)-2-hydroxy-1,2-dimethylpropyl]amino]-4-pyrimidinyl]-1-(4-methoxyphenyl)urea
- 3-[(2-chlorophenyl)methyl]-1-[2-[[(2s)-3-hydroxy-3-methyl-butan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
- 3-[(2-chlorophenyl)methyl]-1-[2-[[(2s)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-4-yl]-1-(4-methoxyphenyl)urea
- lic
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InChIKey |
ZHBOBAJCKHPQBT-INIZCTEOSA-N |
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Elements |
H
C
Cl
O
N
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