(2R,3R,4S,5R)-5-(3,4-Dichlorophenyl)-5'-Methyl-1',3'-Dioxo-4-{[4-(1,2,3-Thiadiazol-4-Yl)Phenyl]Carbamoyl}-1',3',4,5-Tetrahydro-3H-Spiro[Furan-2,2'-Indene]-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C29H19Cl2N3O6S
IUPAC Name (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[indane-2,2'-tetrahydrofuran]-3'-carboxylic acid
Molecular Mass 608.449 g·mol−1
Heat of Formation -474.2 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 635.7 Å 3
Surface Area 506.31 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-1,3-diketo-5-methyl-4'-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[indane-2,2'-tetrahydrofuran]-3'-carboxylic acid
  • (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-[[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl]spiro[indene-2,2'-oxolane]-3'-carboxylic acid
  • (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[indane-2,2'-tetrahydrofuran]-3'-carboxylic acid
  • (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-[[4-(thiadiazol-4-yl)phenyl]carbamoyl]spiro[indene-2,2'-oxolane]-3'-carboxylic acid
  • (2r,3'r,4's,5'r)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-[oxo-[[4-(4-thiadiazolyl)phenyl]amino]methyl]-3'-spiro[indane-2,2'-tetrahydrofuran]carboxylic acid
  • bilh 434
  • spiro[3-carboxy-4-{(4-[1,2,3]thiadiazol-4-yl-phenyl)-amino-carbonyl} -5-[3,4-dichloro-phenyl]-tetrahydrofuran-2,2'-5-methyl-indan-1,3-dione]
InChIKey KNRVCCXHLSHTFW-HGPRPZRGSA-N
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