ChemSpider 2D Image | 3-{[(10R)-10-Isopropyl-22-methoxy-12,18-dioxo-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.0~5,9~]tricosa-1(23),6,8,19,21-pentaen-14-yl]carbonyl}-4-methoxybenzenesulfonamide | C34H39N7O8S

3-{[(10R)-10-Isopropyl-22-methoxy-12,18-dioxo-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaen-14-yl]carbonyl}-4-methoxybenzenesulfonamide

  • Molecular FormulaC34H39N7O8S
  • Average mass705.781 Da
  • Monoisotopic mass705.258057 Da
  • ChemSpider ID107752082

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-{[(10R)-10-Isopropyl-22-methoxy-12,18-dioxo-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaen-14-yl]carbonyl}-4-methoxybenzenesulfonamide [ACD/IUPAC Name]
3-{[(10R)-10-Isopropyl-22-méthoxy-12,18-dioxo-7-phényl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaén-14-yl]carbonyl}-4-méthoxybenzènesulfonamide [French] [ACD/IUPAC Name]
3-{[(10R)-10-Isopropyl-22-methoxy-12,18-dioxo-7-phenyl-2-oxa-5,6,8,11,14,17-hexaazatricyclo[17.3.1.05,9]tricosa-1(23),6,8,19,21-pentaen-14-yl]carbonyl}-4-methoxybenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 3-[[(21R)-5,6,13,14,15,16,18,19,20,21-decahydro-9-methoxy-21-(1-methylethyl)-13,19-dioxo-2-phenyl-17H-12,8-metheno[1,2,4]triazolo[1,5-d][1,4,7,10,13]oxatetraazacyclononadecin-17-yl ]carbonyl]-4-methoxy- [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: 1.657
Molar Refractivity: 184.3±0.5 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.23
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 82.69
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.35
ACD/KOC (pH 7.4): 82.50
Polar Surface Area: 205 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 501.1±7.0 cm3

Click to predict properties on the Chemicalize site


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