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Search term: WYYVSIHMUONIGA-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-(4-iodo-2-methylphenyl)tryptophanamide | C26H24IN3O3

Nα-[(Benzyloxy)carbonyl]-N-(4-iodo-2-methylphenyl)tryptophanamide

  • Molecular FormulaC26H24IN3O3
  • Average mass553.391 Da
  • Monoisotopic mass553.086243 Da
  • ChemSpider ID2366472

More details:

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

Carbamic acid, N-[1-(1H-indol-3-ylmethyl)-2-[(4-iodo-2-methylphenyl)amino]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-iod-2-methylphenyl)tryptophanamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-iodo-2-methylphenyl)tryptophanamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-(4-iodo-2-méthylphényl)tryptophaneamide [French] [ACD/IUPAC Name]
[2-(1H-Indol-3-yl)-1-(4-iodo-2-methyl-phenylcarbamoyl)-ethyl]-carbamic acid benzyl ester
3-indol-3-yl-N-(4-iodo-2-methylphenyl)-2-[(phenylmethoxy)carbonylamino]propanamide
BENZYL N-[2-(1H-INDOL-3-YL)-1-[(4-IODO-2-METHYLPHENYL)CARBAMOYL]ETHYL]CARBAMATE

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

A1557/0067810 [DBID]
BAS 00602704 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 752.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 409.1±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 138.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.99
ACD/BCF (pH 5.5): 21192.74
ACD/KOC (pH 5.5): 43477.99
ACD/LogD (pH 7.4): 5.99
ACD/BCF (pH 7.4): 21182.06
ACD/KOC (pH 7.4): 43456.08
Polar Surface Area: 83 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 356.9±3.0 cm3

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