ChemSpider 2D Image | 1'-(3-{6-Methyl-2-[1-(methylsulfonyl)-4-piperidinyl]-4-pyrimidinyl}propanoyl)-3,4,6,7,9,10,11,12-octahydrospiro[1,6-benzoxazacyclotetradecine-8,4'-piperidin]-5(2H)-one | C34H49N5O5S

1'-(3-{6-Methyl-2-[1-(methylsulfonyl)-4-piperidinyl]-4-pyrimidinyl}propanoyl)-3,4,6,7,9,10,11,12-octahydrospiro[1,6-benzoxazacyclotetradecine-8,4'-piperidin]-5(2H)-one

  • Molecular FormulaC34H49N5O5S
  • Average mass639.848 Da
  • Monoisotopic mass639.345459 Da
  • ChemSpider ID114956766

More details:

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

1'-(3-{6-Methyl-2-[1-(methylsulfonyl)-4-piperidinyl]-4-pyrimidinyl}propanoyl)-3,4,6,7,9,10,11,12-octahydrospiro[1,6-benzoxazacyclotetradecine-8,4'-piperidin]-5(2H)-on [German] [ACD/IUPAC Name]
1'-(3-{6-Methyl-2-[1-(methylsulfonyl)-4-piperidinyl]-4-pyrimidinyl}propanoyl)-3,4,6,7,9,10,11,12-octahydrospiro[1,6-benzoxazacyclotetradecine-8,4'-piperidin]-5(2H)-one [ACD/IUPAC Name]
1'-(3-{6-Méthyl-2-[1-(méthylsulfonyl)-4-pipéridinyl]-4-pyrimidinyl}propanoyl)-3,4,6,7,9,10,11,12-octahydrospiro[1,6-benzoxazacyclotetradecine-8,4'-piperidin]-5(2H)-one [French] [ACD/IUPAC Name]
Spiro[8H-1,6-benzoxaazacyclotetradecine-8,4'-piperidin]-5(2H)-one, 3,4,6,7,9,10,11,12-octahydro-1'-[3-[6-methyl-2-[1-(methylsulfonyl)-4-piperidinyl]-4-pyrimidinyl]-1-oxopropyl]- [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: 1.604
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 683.05
ACD/KOC (pH 5.5): 3716.32
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 685.18
ACD/KOC (pH 7.4): 3727.92
Polar Surface Area: 130 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 506.7±5.0 cm3

Click to predict properties on the Chemicalize site


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