4-Chloro-3-(5-Methyl-3-((4-(2-Pyrrolidin-1-Ylethoxy)Phenyl)Amino)-1,2,4-Benzotriazin-7-Yl)Phenyl Benzoate

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Properties Simple | Detailed

Formula C33H30ClN5O3
IUPAC Name [4-chloro-3-[5-methyl-3-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1,2,4-benzotriazin-7-yl]phenyl] benzoate
Molecular Mass 580.076 g·mol−1
Heat of Formation 86.5 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 671.97 Å 3
Surface Area 588.8 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • benzoic acid [4-chloro-3-[5-methyl-3-[[4-(2-1-pyrrolidinylethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl]phenyl] ester
  • benzoic acid [4-chloro-3-[5-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]-1,2,4-benzotriazin-7-yl]phenyl] ester
InChIKey JMGXJHWTVBGOKG-UHFFFAOYSA-N
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Elements H C N O Cl