ChemSpider 2D Image | 1'-(3-{2-Methyl-6-[1-(methylsulfonyl)-3-piperidinyl]-4-pyrimidinyl}propanoyl)-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one | C33H47N5O5S

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

  • Molecular FormulaC33H47N5O5S
  • Average mass625.822 Da
  • Monoisotopic mass625.329773 Da
  • ChemSpider ID80806697

More details:

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

1'-(3-{2-Methyl-6-[1-(methylsulfonyl)-3-piperidinyl]-4-pyrimidinyl}propanoyl)-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-on [German] [ACD/IUPAC Name]
1'-(3-{2-Methyl-6-[1-(methylsulfonyl)-3-piperidinyl]-4-pyrimidinyl}propanoyl)-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one [ACD/IUPAC Name]
1'-(3-{2-Méthyl-6-[1-(méthylsulfonyl)-3-pipéridinyl]-4-pyrimidinyl}propanoyl)-2,3,4,5,8,9,10,11-octahydro-6H-spiro[1,5-benzoxazacyclotridecine-7,4'-piperidin]-6-one [French] [ACD/IUPAC Name]
Spiro[1,5-benzoxaazacyclotridecine-7(6H),4'-piperidin]-6-one, 2,3,4,5,8,9,10,11-octahydro-1'-[3-[2-methyl-6-[1-(methylsulfonyl)-3-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: 1.608
Molar Refractivity: 169.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 531.93
ACD/KOC (pH 5.5): 3108.45
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.90
ACD/KOC (pH 7.4): 3114.08
Polar Surface Area: 130 Å2
Polarizability: 67.2±0.5 10-24cm3
Surface Tension: 62.9±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


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