Formula |
C21H23N7O2S |
IUPAC Name |
5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide |
Molecular Mass |
437.518 g·mol−1 |
Heat of Formation |
151.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.10 ± 1.08 D |
Volume |
499.37 Å 3 |
Surface Area |
424.04 Å 2 |
HOMO Energy |
-8.42 ± 0.55 eV |
LUMO Energy |
-0.58 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[[4-[(2,3-dimethyl-6-indazolyl)-methylamino]-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide
- 5-[[4-[(2,3-dimethylindazol-6-yl)-methyl-amino]pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide
- 5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
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InChIKey |
CUIHSIWYWATEQL-UHFFFAOYSA-N |
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Elements |
H
S
C
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N
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