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Search term: CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]nicotinamide | C16H20N4O3S

2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]nicotinamide

  • Molecular FormulaC16H20N4O3S
  • Average mass348.420 Da
  • Monoisotopic mass348.125610 Da
  • ChemSpider ID24650138

More details:

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

2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]nicotinamid [German] [ACD/IUPAC Name]
2-Amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]nicotinamide [ACD/IUPAC Name]
2-Amino-5-(2,3-dihydrothiéno[3,4-b][1,4]dioxin-5-yl)-N-[2-(diméthylamino)éthyl]nicotinamide [French] [ACD/IUPAC Name]
2-amino-5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
3-Pyridinecarboxamide, 2-amino-5-(2,3-dihydrothieno[3,4-b]-1,4-dioxin-5-yl)-N-[2-(dimethylamino)ethyl]- [ACD/Index Name]
WTJ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.4±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 32.55
Polar Surface Area: 118 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 265.7±3.0 cm3

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