ChemSpider 2D Image | JNJ-41443532 | C22H25F3N4O3S

JNJ-41443532

  • Molecular FormulaC22H25F3N4O3S
  • Average mass482.519 Da
  • Monoisotopic mass482.159943 Da
  • ChemSpider ID28649447
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1228650-83-6 [RN]
Benzamide, N-[2-[[1-[trans-4-hydroxy-4-(5-thiazolyl)cyclohexyl]-3-azetidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)- [ACD/Index Name]
JNJ-41443532
N-[2-({1-[trans-4-Hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]-3-azetidinyl}amino)-2-oxoethyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-({1-[trans-4-Hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]-3-azetidinyl}amino)-2-oxoethyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-[2-({1-[trans-4-Hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]-3-azétidinyl}amino)-2-oxoéthyl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
CCR2 antagonist 5
N-[2-[[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

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

0OJB0LES1A [DBID]
UNII:0OJB0LES1A [DBID]
UNII-0OJB0LES1A [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 375.1±31.5 °C
Index of Refraction: 1.611
Molar Refractivity: 116.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 48.22
Polar Surface Area: 123 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 336.5±5.0 cm3

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