ChemSpider 2D Image | 2-(6-Amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 3-(1-azepanylsulfonyl)-4-methoxybenzoate | C24H32N4O8S

2-(6-Amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 3-(1-azepanylsulfonyl)-4-methoxybenzoate

  • Molecular FormulaC24H32N4O8S
  • Average mass536.598 Da
  • Monoisotopic mass536.194092 Da
  • ChemSpider ID11714570

More details:

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

2-(6-Amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl 3-(1-azepanylsulfonyl)-4-methoxybenzoate [ACD/IUPAC Name]
2-(6-Amino-3-methyl-2,4-dioxo-1-propyl-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl-3-(1-azepanylsulfonyl)-4-methoxybenzoat [German] [ACD/IUPAC Name]
3-(1-Azépanylsulfonyl)-4-méthoxybenzoate de 2-(6-amino-3-méthyl-2,4-dioxo-1-propyl-1,2,3,4-tétrahydro-5-pyrimidinyl)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-4-methoxy-, 2-(6-amino-1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-propyl-5-pyrimidinyl)-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 719.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 388.8±35.7 °C
Index of Refraction: 1.577
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.90
ACD/KOC (pH 5.5): 396.13
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.91
ACD/KOC (pH 7.4): 396.27
Polar Surface Area: 165 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 403.1±3.0 cm3

Click to predict properties on the Chemicalize site


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