ChemSpider 2D Image | 3-[(4-Methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)-N-(2-thienylmethyl)benzamide | C31H30N4O4S

3-[(4-Methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(2-thienylmethyl)benzamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID4239651

More details:

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

3-[(4-Methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(2-thienylmethyl)benzamid [German] [ACD/IUPAC Name]
3-[(4-Methoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-N-(2-thienylmethyl)benzamide [ACD/IUPAC Name]
3-[(4-Méthoxybenzoyl)amino]-4-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)-N-(2-thiénylméthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[(4-methoxybenzoyl)amino]-4-(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(2-thienylmethyl)- [ACD/Index Name]
3-[(4-methoxybenzoyl)amino]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)-N-(thien-2-ylmethyl)benzamide

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

EU-0095741 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 107.88
ACD/KOC (pH 5.5): 992.45
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.94
ACD/KOC (pH 7.4): 993.03
Polar Surface Area: 119 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 71.7±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

Click to predict properties on the Chemicalize site


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