ChemSpider 2D Image | Conteltinib | C32H45N9O3S

Conteltinib

  • Molecular FormulaC32H45N9O3S
  • Average mass635.823 Da
  • Monoisotopic mass635.336609 Da
  • ChemSpider ID61732963

More details:






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

Benzenesulfonamide, 2-[[6,7-dihydro-2-[[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-(1-methylethyl)- [ACD/Index Name]
conteltinib [French] [INN]
conteltinib [Spanish] [INN]
Conteltinib [INN]
conteltinibum [Latin] [INN]
N-Isopropyl-2-{[2-({2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzenesulfonamide [ACD/IUPAC Name]
N-Isopropyl-2-{[2-({2-méthoxy-4-[4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]phényl}amino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzènesulfonamide [French] [ACD/IUPAC Name]
N-Isopropyl-2-{[2-({2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzolsulfonamid [German] [ACD/IUPAC Name]
康特替尼 [Chinese] [INN]
1384860-29-0 [RN]

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

URX2UMQ8XV [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 814.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.4±3.0 kJ/mol
Flash Point: 446.5±37.1 °C
Index of Refraction: 1.631
Molar Refractivity: 176.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.67
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 81.40
ACD/KOC (pH 7.4): 432.03
Polar Surface Area: 135 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 495.6±3.0 cm3

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