ChemSpider 2D Image | Ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]-1-propyn-1-yl}-2-oxo-1(2H)-pyrimidinyl]-3-oxetanyl}acetate | C17H22N4O6S

Ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]-1-propyn-1-yl}-2-oxo-1(2H)-pyrimidinyl]-3-oxetanyl}acetate

  • Molecular FormulaC17H22N4O6S
  • Average mass410.445 Da
  • Monoisotopic mass410.126007 Da
  • ChemSpider ID25059148

More details:

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

{3-[4-Amino-5-{3-[(cyclopropylsulfonyl)amino]-1-propyn-1-yl}-2-oxo-1(2H)-pyrimidinyl]-3-oxétanyl}acétate d'éthyle [French] [ACD/IUPAC Name]
3-Oxetaneacetic acid, 3-[4-amino-5-[3-[(cyclopropylsulfonyl)amino]-1-propyn-1-yl]-2-oxo-1(2H)-pyrimidinyl]-, ethyl ester [ACD/Index Name]
Ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]-1-propyn-1-yl}-2-oxo-1(2H)-pyrimidinyl]-3-oxetanyl}acetate [ACD/IUPAC Name]
Ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate
Ethyl-{3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]-1-propin-1-yl}-2-oxo-1(2H)-pyrimidinyl]-3-oxetanyl}acetat [German] [ACD/IUPAC Name]
GVS

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

Density: 1.5±0.1 g/cm3
Boiling Point: 585.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 99.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.89
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.34
Polar Surface Area: 149 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 64.6±7.0 dyne/cm
Molar Volume: 269.9±7.0 cm3

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