ChemSpider 2D Image | 1-{4-[13-Imino-13-oxido-13lambda~4~-thia-2,4,8,19-tetraazatricyclo[12.3.1.1~3,7~]nonadeca-1(18),3(19),4,6,14,16-hexaen-6-yl]phenyl}-3-phenylurea | C27H27N7O2S

1-{4-[13-Imino-13-oxido-13λ4-thia-2,4,8,19-tetraazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,14,16-hexaen-6-yl]phenyl}-3-phenylurea

  • Molecular FormulaC27H27N7O2S
  • Average mass513.614 Da
  • Monoisotopic mass513.194702 Da
  • ChemSpider ID10017075

More details:

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

1-{4-[13-Imino-13-oxido-13λ4-thia-2,4,8,19-tetraazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,14,16-hexaen-6-yl]phenyl}-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-{4-[13-Imino-13-oxido-13λ4-thia-2,4,8,19-tetraazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,14,16-hexaen-6-yl]phenyl}-3-phenylurea [ACD/IUPAC Name]
1-{4-[13-Imino-13-oxydo-13λ4-thia-2,4,8,19-tétraazatricyclo[12.3.1.13,7]nonadéca-1(18),3(19),4,6,14,16-hexaén-6-yl]phényl}-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[4-[13,13-dihydro-13-imino-13-oxido-13-thia-2,4,8,19-tetraazatricyclo[12.3.1.13,7]nonadeca-1(18),3,5,7(19),14,16-hexaen-6-yl]phenyl]-N'-phenyl- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 144.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 140 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 369.4±7.0 cm3

Click to predict properties on the Chemicalize site


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