ChemSpider 2D Image | (6R,9aR)-N-Benzyl-6-(4-hydroxybenzyl)-8-(1-naphthylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide | C33H32N4O4

(6R,9aR)-N-Benzyl-6-(4-hydroxybenzyl)-8-(1-naphthylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide

  • Molecular FormulaC33H32N4O4
  • Average mass548.632 Da
  • Monoisotopic mass548.242371 Da
  • ChemSpider ID57618331

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6R,9aR)-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
(6R,9aR)-N-Benzyl-6-(4-hydroxybenzyl)-8-(1-naphthylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidin-1(6H)-carboxamid [German] [ACD/IUPAC Name]
(6R,9aR)-N-Benzyl-6-(4-hydroxybenzyl)-8-(1-naphthylmethyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide [ACD/IUPAC Name]
(6R,9aR)-N-Benzyl-6-(4-hydroxybenzyl)-8-(1-naphtylméthyl)-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide [French] [ACD/IUPAC Name]
2H-Pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-8-(1-naphthalenylmethyl)-4,7-dioxo-N-(phenylmethyl)-, (6R,9aR)- [ACD/Index Name]
(6R,9aR)-6-(4-hydroxybenzyl)-8-naphthalen-1-ylmethyl-4,7-dioxo-hexahydro-pyrazino[1,2-a]pyrimidine-1-carboxylic acid benzylamide
(6R,9aR)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-(naphthalen-1-ylmethyl)-4,7-dioxo-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
2514734-77-9 [RN]
780757-88-2 [RN]
BRD-K39096267-001-01-4

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

ICG-001 [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: 895.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.6±3.0 kJ/mol
Flash Point: 495.4±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 157.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 434.94
ACD/KOC (pH 5.5): 2692.71
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.58
ACD/KOC (pH 7.4): 2684.25
Polar Surface Area: 93 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 74.9±5.0 dyne/cm
Molar Volume: 398.4±5.0 cm3

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