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Search term: CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-{2-[1-(6-Carbamoylthieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]ethyl}-N'-ethyl-2,5-thiophenedicarboxamide | C22H26N6O3S2

N-{2-[1-(6-Carbamoylthieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]ethyl}-N'-ethyl-2,5-thiophenedicarboxamide

  • Molecular FormulaC22H26N6O3S2
  • Average mass486.610 Da
  • Monoisotopic mass486.150787 Da
  • ChemSpider ID29420220

More details:

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

2,5-Thiophenedicarboxamide, N2-[2-[1-[6-(aminocarbonyl)thieno[3,2-d]pyrimidin-4-yl]-4-piperidinyl]ethyl]-N5-ethyl- [ACD/Index Name]
N-{2-[1-(6-Carbamoylthieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]ethyl}-N'-ethyl-2,5-thiophendicarboxamid [German] [ACD/IUPAC Name]
N-{2-[1-(6-Carbamoylthieno[3,2-d]pyrimidin-4-yl)-4-piperidinyl]ethyl}-N'-ethyl-2,5-thiophenedicarboxamide [ACD/IUPAC Name]
N-{2-[1-(6-Carbamoylthiéno[3,2-d]pyrimidin-4-yl)-4-pipéridinyl]éthyl}-N'-éthyl-2,5-thiophènedicarboxamide [French] [ACD/IUPAC Name]
N-{2-[1-(6-Carbamoylthieno[3,2-D]pyrimidin-4-Yl)piperidin-4-Yl]ethyl}-N'-Ethylthiophene-2,5-Dicarboxamide
1NQ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 838.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.8±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 10.88
ACD/KOC (pH 5.5): 185.95
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 207.90
Polar Surface Area: 187 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site


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