ChemSpider 2D Image | (1S)-2'-Anilino-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one | C35H36N2O3

(1S)-2'-Anilino-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one

  • Molecular FormulaC35H36N2O3
  • Average mass532.672 Da
  • Monoisotopic mass532.272583 Da
  • ChemSpider ID5492967

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-2'-Anilino-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-on [German] [ACD/IUPAC Name]
(1S)-2'-Anilino-6'-(dibutylamino)-3'-methyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [ACD/IUPAC Name]
(1S)-2'-Anilino-6'-(dibutylamino)-3'-méthyl-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-, (1S)- [ACD/Index Name]

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

ZINC04253445 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 704.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 8.09
ACD/BCF (pH 5.5): 807749.38
ACD/KOC (pH 5.5): 568246.31
ACD/LogD (pH 7.4): 8.15
ACD/BCF (pH 7.4): 914005.81
ACD/KOC (pH 7.4): 642997.00
Polar Surface Area: 51 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

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