ChemSpider 2D Image | (2S,3S,4S,5S)-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 | C29H19Cl2N3O6S

(2S,3S,4S,5S)-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

  • Molecular FormulaC29H19Cl2N3O6S
  • Average mass608.449 Da
  • Monoisotopic mass607.037170 Da
  • ChemSpider ID26330264

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S,3S,4S,5S)-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 [ACD/IUPAC Name]
(2S,3S,4S,5S)-5-(3,4-Dichlorphenyl)-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-carbonsäure [German] [ACD/IUPAC Name]
Acide (2S,3S,4S,5S)-5-(3,4-dichlorophényl)-5'-méthyl-1',3'-dioxo-4-{[4-(1,2,3-thiadiazol-4-yl)phényl]carbamoyl}-1',3',4,5-tétrahydro-3H-spiro[furan-2,2'-indene]-3-carboxylique [French] [ACD/IUPAC Name]
Spiro[furan-2(3H),2'-[2H]indene]-3-carboxylic acid, 5-(3,4-dichlorophenyl)-1',3',4,5-tetrahydro-5'-methyl-1',3'-dioxo-4-[[[4-(1,2,3-thiadiazol-4-yl)phenyl]amino]carbonyl]-, (2S,3S,4S,5S)- [ACD/Index Name]
(2S,3'S,4'S,5'S)-5'-(3,4-dichlorophenyl)-5-methyl-1,3-dioxo-4'-{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl}-1,3-dihydrospiro[indene-2,2'-oxolane]-3'-carboxylic acid
(2S,3'S,4'S,5'S)-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
(2S,3'S,4'S,5'S)-5'-(3,4-dichlorophenyl)-6-methyl-1,3-dioxo-4'-{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl}-1,3-dihydrospiro[indene-2,2'-oxolane]-3'-carboxylic acid

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BILH 434 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 58.25
ACD/KOC (pH 5.5): 134.14
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 7.40
Polar Surface Area: 164 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 89.1±5.0 dyne/cm
Molar Volume: 373.7±5.0 cm3

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