(2S)-1-{2-[(4-Amino-2,6-Dichlorophenyl)Amino]-2-Oxoethyl}-4-[5,5-Bis(4-Fluorophenyl)Pentyl]-2-Piperazinecarboxamide

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Properties Simple | Detailed

Formula C30H33Cl2F2N5O2
IUPAC Name (1s,2s,4r)-1-[2-(4-amino-2,6-dichloro-anilino)-2-oxo-ethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
Molecular Mass 604.518 g·mol−1
Heat of Formation -518.3 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 694.36 Å 3
Surface Area 591.26 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[2-[(4-amino-2,6-dichloro-phenyl)amino]-2-keto-ethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
  • (2s)-1-[2-[(4-amino-2,6-dichloro-phenyl)amino]-2-oxo-ethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
  • (2s)-1-[2-[(4-amino-2,6-dichlorophenyl)amino]-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide
InChIKey IWMYIWLIESDFRZ-MHZLTWQESA-N
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Elements C F H Cl O N