2-{4-[3-(3-Chloro-10H-Phenothiazin-10-Yl)Propyl]-1-Piperazinyl}Ethyl 3,4,5-Trimethoxybenzoate

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Properties Simple | Detailed

Formula C31H36ClN3O5S
IUPAC Name 2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Molecular Mass 598.153 g·mol−1
Heat of Formation -487.8 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 699.63 Å 3
Surface Area 562.46 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trimethoxybenzoic acid 2-[4-[3-(3-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester
  • 3,4,5-trimethoxybenzoic acid 2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl ester
  • 3,4,5-trimethoxybenzoic acid, 2-(4-(3-(3-chloro-10h-phenothiazin-10-yl)propyl)-1-piperazinyl)ethyl ester
  • 3-chloro-6-(4'-hydroxyethylpiperazinyl)-1,1-propylphenothiazine 3'',4'',45''-trimethoxybenzoic acid
  • t 82
CAS Number(s)
  • 38455-99-1
InChIKey KZAJTVRKNKAXAG-UHFFFAOYSA-N
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