Found 145 results

Search term: MF = 'C_{30}H_{28}N_{6}O_{3}S'
ChemSpider 2D Image | 2,4-Diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile | C30H28N6O3S

2,4-Diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile

  • Molecular FormulaC30H28N6O3S
  • Average mass552.647 Da
  • Monoisotopic mass552.194336 Da
  • ChemSpider ID21593870

More details:

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

2,4-Diamino-10-(3-cyan-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridin-3-carbonitril [German] [ACD/IUPAC Name]
2,4-Diamino-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile [ACD/IUPAC Name]
2,4-Diamino-10-(3-cyano-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)-5-(3,4-diméthoxyphényl)-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphtyridine-3-carbonitrile [French] [ACD/IUPAC Name]
Benzo[b][1,8]naphthyridine-3-carbonitrile, 2,4-diamino-10-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-5-(3,4-dimethoxyphenyl)-5,6,7,8,9,10-hexahydro-6-oxo- [ACD/Index Name]
2-[2,4-diamino-5-(3,4-dimethoxyphenyl)-3-cyano-6-oxo-5,7,8,9,10-pentahydropyridino[2,3-b]quinolin-10-yl]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

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

Density: 1.5±0.1 g/cm3
Boiling Point: 837.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.6±3.0 kJ/mol
Flash Point: 460.1±34.3 °C
Index of Refraction: 1.720
Molar Refractivity: 149.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4871.33
ACD/KOC (pH 5.5): 15173.69
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4876.00
ACD/KOC (pH 7.4): 15188.23
Polar Surface Area: 180 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 87.3±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

Click to predict properties on the Chemicalize site


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