ChemSpider 2D Image | N-{N'-[4-Amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonamethyl-3,4-dihydro-1H-isochromene-6-sulfonamide | C29H46N6O4S

N-{N'-[4-Amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonamethyl-3,4-dihydro-1H-isochromene-6-sulfonamide

  • Molecular FormulaC29H46N6O4S
  • Average mass574.778 Da
  • Monoisotopic mass574.330139 Da
  • ChemSpider ID427312

More details:

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

1H-2-Benzopyran-6-sulfonamide, N-[(E)-amino[[4-amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]imino]methyl]-3,4-dihydro-1,1,3,3,4,4,5,7,8-nonamethyl- [ACD/Index Name]
N-{N'-[4-Amino-5-(2-cyan-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonamethyl-3,4-dihydro-1H-isochromen-6-sulfonamid [German] [ACD/IUPAC Name]
N-{N'-[4-Amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonamethyl-3,4-dihydro-1H-isochromene-6-sulfonamide [ACD/IUPAC Name]
N-{N'-[4-Amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]carbamimidoyl}-1,1,3,3,4,4,5,7,8-nonaméthyl-3,4-dihydro-1H-isochromène-6-sulfonamide [French] [ACD/IUPAC Name]
1H-2-Benzopyran-6-sulfonamide, N-[4-amino-5-(2-cyano-1-pyrrolidinyl)-5-oxopentyl]amino-minomethyl-3,4-dihydro-1,1,3,3,4,4,5,7,8-nonamethyl-
Arginyl(PMC)-pyrrolidine-2-nitrile

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

AIDS110022 [DBID]
AIDS-110022 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 401.6±35.7 °C
Index of Refraction: 1.601
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.95
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 24.23
ACD/KOC (pH 7.4): 195.63
Polar Surface Area: 172 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 456.0±7.0 cm3

Click to predict properties on the Chemicalize site


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