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

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Properties Simple | Detailed

Formula C28H36ClN5O2
IUPAC Name n-(3-aminopropyl)-n-[(r)-[5-chloro-4-oxo-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-cyclopropylmethyl]-4-methylbenzamide
Molecular Mass 510.071 g·mol−1
Heat of Formation 122.7 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 598.13 Å 3
Surface Area 466.69 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • n-(3-aminopropyl)-n-[(r)-[3-(benzyl)-5-chloro-4-keto-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-cyclopropyl-methyl]-4-methyl-benzamide
  • n-(3-aminopropyl)-n-[(r)-[5-chloro-4-oxo-3-(phenylmethyl)-2-pyrrolo[2,1-f][1,2,4]triazinyl]-cyclopropylmethyl]-4-methylbenzamide
  • n-(3-aminopropyl)-n-[(r)-[5-chloro-4-oxo-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-cyclopropyl-methyl]-4-methyl-benzamide
InChIKey IKORZPHBTIOSSU-XMMPIXPASA-N
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