5-{[(5S,9R)-9-(4-Cyanophenyl)-3-(3,5-Dichlorophenyl)-1-Methyl-2,4-Dioxo-1,3,7-Triazaspiro[4.4]Non-7-Yl]Methyl}-3-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C26H20Cl2N4O4S
IUPAC Name 5-[[(5s,7s,9r)-9-(4-cyanophenyl)-3-(3,5-dichlorobenzene-4-id-1-yl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl]methyl]thiophen-1-ium-3-carboxylate
Molecular Mass 555.432 g·mol−1
Heat of Formation 440.9 ± 16.7 kJ·mol−1
Dipole Moment 8.46 ± 1.08 D
Volume 593.69 Å 3
Surface Area 456.86 Å 2
Point Group Symmetry C1
Synonyms
  • 2ic
  • 5-[[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.4]nonan-8-yl]methyl]-3-thiophenecarboxylic acid
  • 5-[[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.4]nonan-8-yl]methyl]thiophene-3-carboxylic acid
  • 5-[[(5s,6r)-6-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-2,4-diketo-1-methyl-1,3,8-triazaspiro[4.4]nonan-8-yl]methyl]-3-thenoic acid
InChIKey NXNKJLOEGWSJGI-BKMJKUGQSA-N
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