8-Chloro-1-Methyl-5-(4-Methyl-1-Piperazinyl)-6-Phenyl-6H-[1,2,4]Triazolo[4,3-A][1,5]Benzodiazepine
Properties
Property | Value |
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Formula | C22H23ClN6 |
IUPAC Name | 8-chloro-1-methyl-5-(4-methylpiperazin-1-yl)-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine |
Molecular Mass | 406.911 g·mol−1 |
Heat of Formation | 493.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.55 ± 1.08 D |
Volume | 475.05 Å 3 |
Surface Area | 376.46 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | -0.91 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | IVTYOJOLKCTFCX-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N Cl |