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

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Properties Simple | Detailed

Formula C25H33ClN4O2S
IUPAC Name 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 4-aminobutanoate
Molecular Mass 489.073 g·mol−1
Heat of Formation -189.5 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 583.04 Å 3
Surface Area 483.99 Å 2
HOMO Energy -7.67 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 4-aminobutanoic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester
  • 4-aminobutyric acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl ester
InChIKey BABFYCSPNDKXRI-UHFFFAOYSA-N
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Elements C Cl H O N S