ChemSpider 2D Image | N,N-Dibutyl-4-chloro-1-[2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-{[(7-iodo-2-naphthyl)sulfonyl]carbamoyl}phenyl]-5-methyl-1H-pyrazole-3-carboxamide | C40H41ClIN5O5S

N,N-Dibutyl-4-chloro-1-[2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-{[(7-iodo-2-naphthyl)sulfonyl]carbamoyl}phenyl]-5-methyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC40H41ClIN5O5S
  • Average mass866.206 Da
  • Monoisotopic mass865.156128 Da
  • ChemSpider ID28508014

More details:

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

1H-Pyrazole-3-carboxamide, N,N-dibutyl-4-chloro-1-[2-[(3,4-dihydro-2(1H)-isoquinolinyl)carbonyl]-4-[[[(7-iodo-2-naphthalenyl)sulfonyl]amino]carbonyl]phenyl]-5-methyl- [ACD/Index Name]
N,N-Dibutyl-4-chlor-1-[2-(3,4-dihydro-2(1H)-isochinolinylcarbonyl)-4-{[(7-iod-2-naphthyl)sulfonyl]carbamoyl}phenyl]-5-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N,N-Dibutyl-4-Chloranyl-1-[2-(3,4-Dihydro-1h-Isoquinolin-2-Ylcarbonyl)-4-[(7-Iodanylnaphthalen-2-Yl)sulfonylcarbamoyl]phenyl]-5-Methyl-Pyrazole-3-Carboxamide
N,N-Dibutyl-4-chloro-1-[2-(3,4-dihydro-2(1H)-isoquinoléinylcarbonyl)-4-{[(7-iodo-2-naphtyl)sulfonyl]carbamoyl}phényl]-5-méthyl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
N,N-Dibutyl-4-chloro-1-[2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)-4-{[(7-iodo-2-naphthyl)sulfonyl]carbamoyl}phenyl]-5-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]

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

398 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.675
Molar Refractivity: 218.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.25
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 2814.55
ACD/KOC (pH 5.5): 3082.01
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 1941.13
ACD/KOC (pH 7.4): 2125.59
Polar Surface Area: 130 Å2
Polarizability: 86.7±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 581.8±7.0 cm3

Click to predict properties on the Chemicalize site


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