ChemSpider 2D Image | 3-{4-[(3aS,9bR)-9-Methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione | C30H29N5O4S

3-{4-[(3aS,9bR)-9-Methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

  • Molecular FormulaC30H29N5O4S
  • Average mass555.647 Da
  • Monoisotopic mass555.194031 Da
  • ChemSpider ID5036156

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

208993-58-2 [RN]
3-{4-[(3aS,9bR)-9-Methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
3-{4-[(3aS,9bR)-9-Methoxy-1,3a,4,9b-tetrahydrochromeno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phenylpyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione [ACD/IUPAC Name]
3-{4-[(3aS,9bR)-9-Méthoxy-1,3a,4,9b-tétrahydrochroméno[3,4-c]pyrrol-2(3H)-yl]butyl}-8-phénylpyrazino[2',3':4,5]thiéno[3,2-d]pyrimidine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
Pyrazino[2',3':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 8-phenyl-3-[4-[(3aS,9bR)-1,3a,4,9b-tetrahydro-9-methoxy[1]benzopyrano[3,4-c]pyrrol-2(3H)-yl]butyl]- [ACD/Index Name]

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

Lopac-F-4303 [DBID]
NCGC00015433-01 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 152.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.18
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 50.58
ACD/KOC (pH 7.4): 150.61
Polar Surface Area: 125 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 414.9±3.0 cm3

Click to predict properties on the Chemicalize site


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