| Formula |
C23H26N8OS |
| IUPAC Name |
2-[3-(4-acetyl-1,4-diazepan-1-yl)anilino]-4-[4-methyl-2-(methylamino)thiazol-5-yl]pyrimidine-5-carbonitrile |
| Molecular Mass |
462.571 g·mol−1 |
| Heat of Formation |
322.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.03 ± 1.08 D |
| Volume |
538.27 Å 3 |
| Surface Area |
469.27 Å 2 |
| HOMO Energy |
-8.57 ± 0.55 eV |
| LUMO Energy |
1.90 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DZHBFQMOLIUZMP-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
S
O
N
|
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