N-(3-Aminopropyl)-N-[(R)-(3-Benzyl-5-Chloro-4-Oxo-3,4-Dihydropyrrolo[2,1-F][1,2,4]Triazin-2-Yl)(Cyclopropyl)Methyl]-4-Methylbenzamide
Properties
Property | Value |
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Formula | C28H30ClN5O2 |
IUPAC Name | n-(3-aminopropyl)-n-[(r)-(3-benzyl-5-chloro-4-oxo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-4-methyl-benzamide |
Molecular Mass | 504.023 g·mol−1 |
Heat of Formation | 131.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.73 ± 1.08 D |
Volume | 607.37 Å 3 |
Surface Area | 460.22 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | 2.50 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | IKORZPHBTIOSSU-XMMPIXPASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C N O Cl |