ChemSpider 2D Image | N-{[2-(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methyl}-4-oxo-1,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide | C24H21N5O6S2

N-{[2-(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methyl}-4-oxo-1,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID23334924

More details:

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

4H-Thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide, N-[[2-(2-amino-3,4-dioxo-1-cyclobuten-1-yl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methyl]-3,5,6,8-tetrahydro-4-oxo-, 7,7-dioxide [ACD/Index Name]
7,7-Dioxyde de N-{[2-(2-amino-3,4-dioxo-1-cyclobutén-1-yl)-1,2,3,4-tétrahydro-7-isoquinoléinyl]méthyl}-4-oxo-1,5,6,8-tétrahydro-4H-thiopyrano[4',3':4,5]thiéno[2,3-d]pyrimidine-2-carboxamide [French] [ACD/IUPAC Name]
N-{[2-(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)-1,2,3,4-tetrahydro-7-isochinolinyl]methyl}-4-oxo-1,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-carboxamid-7,7-dioxid [German] [ACD/IUPAC Name]
N-{[2-(2-Amino-3,4-dioxo-1-cyclobuten-1-yl)-1,2,3,4-tetrahydro-7-isoquinolinyl]methyl}-4-oxo-1,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide [ACD/IUPAC Name]
N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide
4,7,7-Trioxo-3,4,5,6,7,8-hexahydro-7,9-dithia-1,3-diaza-fluorene-2-carboxylic Acid[2-(2-Amino-3,4-dioxo-cyclobut-1-enyl)-1,2,3,4-tetrahydro-isoquinolin-7-ylmethyl]-amide
AXB
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL460725/
thiopyranothienopyrimidine, 1

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.878
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -1.23
ACD/LogD (pH 5.5): -0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.35
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.58
Polar Surface Area: 205 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 91.6±7.0 dyne/cm
Molar Volume: 292.9±7.0 cm3

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