ChemSpider 2D Image | N-[5-{[3-(4-Morpholinyl)propyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide | C30H35N5O4S

N-[5-{[3-(4-Morpholinyl)propyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide

  • Molecular FormulaC30H35N5O4S
  • Average mass561.695 Da
  • Monoisotopic mass561.240967 Da
  • ChemSpider ID2905010

More details:

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

2-Thiophenecarboxamide, N-[5-[[[3-(4-morpholinyl)propyl]amino]carbonyl]-2-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]- [ACD/Index Name]
N-[5-{[3-(4-Morpholinyl)propyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[5-{[3-(4-Morpholinyl)propyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)phenyl]-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[5-{[3-(4-Morpholinyl)propyl]carbamoyl}-2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)phényl]-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 754.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 154.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.82
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.31
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.11
ACD/KOC (pH 7.4): 97.82
Polar Surface Area: 122 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 70.7±5.0 dyne/cm
Molar Volume: 407.2±5.0 cm3

Click to predict properties on the Chemicalize site


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