ChemSpider 2D Image | 4-Cyclopropyl-9-{[4-(7-quinolinyl)phenyl]sulfonyl}-1-oxa-4,9-diazaspiro[5.5]undecan-3-one | C26H27N3O4S

4-Cyclopropyl-9-{[4-(7-quinolinyl)phenyl]sulfonyl}-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

  • Molecular FormulaC26H27N3O4S
  • Average mass477.575 Da
  • Monoisotopic mass477.172241 Da
  • ChemSpider ID28645636

More details:

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

1-Oxa-4,9-diazaspiro[5.5]undecan-3-one, 4-cyclopropyl-9-[[4-(7-quinolinyl)phenyl]sulfonyl]- [ACD/Index Name]
4-Cyclopropyl-9-{[4-(7-quinoléinyl)phényl]sulfonyl}-1-oxa-4,9-diazaspiro[5.5]undécan-3-one [French] [ACD/IUPAC Name]
4-Cyclopropyl-9-{[4-(7-quinolinyl)phenyl]sulfonyl}-1-oxa-4,9-diazaspiro[5.5]undecan-3-one [ACD/IUPAC Name]
9-{[4-(7-Chinolinyl)phenyl]sulfonyl}-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-on [German] [ACD/IUPAC Name]
1375105-96-6 [RN]
4-?cyclopropyl-?9-?[[4-?(7-?quinolinyl)?phenyl]?sulfonyl]?-1-?Oxa-?4,?9-?diazaspiro[5.5]?undecan-?3-?one
4-cyclopropyl-9-(4-quinolin-7-yl-benzenesulfonyl)-1-oxa-4,9-diaza-spiro[5.5]undecan-3-one
4-cyclopropyl-9-(4-quinolin-7-ylphenyl)sulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
FAS-IN-1
FASN-IN-4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 712.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.9±35.7 °C
Index of Refraction: 1.706
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 305.04
ACD/KOC (pH 5.5): 2071.59
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 313.95
ACD/KOC (pH 7.4): 2132.13
Polar Surface Area: 88 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 334.4±5.0 cm3

Click to predict properties on the Chemicalize site


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