| Formula |
C25H23ClF3N5O4S |
| IUPAC Name |
4-[3-chloro-4-[3-(trifluoromethyl)phenoxy]anilino]-n-(2-methylsulfonylethyl)-8,9-dihydro-7h-pyrimido[4,5-b]azepine-6-carboxamide |
| Molecular Mass |
581.994 g·mol−1 |
| Heat of Formation |
-977.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.79 ± 1.08 D |
| Volume |
613.17 Å 3 |
| Surface Area |
524.39 Å 2 |
| HOMO Energy |
-8.98 ± 0.55 eV |
| LUMO Energy |
-1.12 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QRXMEGUJRZKMEO-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
F
O
N
S
|
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