ChemSpider 2D Image | 10'-[(1-Acetyl-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-5'-(3-methylbutyl)-3,4-dihydro-2H,3'H,6'H,14'H-spiro[naphthalene-1,1'-[2,5,10,13]tetraazacyclotetradecane]-3',6',14'-trione | C35H47N5O6S

10'-[(1-Acetyl-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-5'-(3-methylbutyl)-3,4-dihydro-2H,3'H,6'H,14'H-spiro[naphthalene-1,1'-[2,5,10,13]tetraazacyclotetradecane]-3',6',14'-trione

  • Molecular FormulaC35H47N5O6S
  • Average mass665.843 Da
  • Monoisotopic mass665.324707 Da
  • ChemSpider ID114946479

More details:

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

10'-[(1-Acetyl-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-5'-(3-methylbutyl)-3,4-dihydro-2H,3'H,6'H,14'H-spiro[naphthalene-1,1'-[2,5,10,13]tetraazacyclotetradecane]-3',6',14'-trione [ACD/IUPAC Name]
Spiro[naphthalene-1(2H),5'-[1,4,7,10]tetraazacyclotetradecane]-3',6',14'-trione, 10'-[(1-acetyl-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-3,4-dihydro-1'-(3-methylbutyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.70
ACD/KOC (pH 5.5): 1613.70
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 212.70
ACD/KOC (pH 7.4): 1613.68
Polar Surface Area: 145 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 506.0±5.0 cm3

Click to predict properties on the Chemicalize site


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