ChemSpider 2D Image | (7S,11S)-9-{[1-(2-Methoxyethyl)-4-piperidinyl]carbonyl}-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.1~3,6~.0~7,11~]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione | C27H38N8O5

(7S,11S)-9-{[1-(2-Methoxyethyl)-4-piperidinyl]carbonyl}-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

  • Molecular FormulaC27H38N8O5
  • Average mass554.641 Da
  • Monoisotopic mass554.296509 Da
  • ChemSpider ID62723558

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(7S,11S)-9-{[1-(2-Methoxyethyl)-4-piperidinyl]carbonyl}-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraen-13,18,23-trion [German] [ACD/IUPAC Name]
(7S,11S)-9-{[1-(2-Methoxyethyl)-4-piperidinyl]carbonyl}-17-methyl-1,4,5,6,9,14,17-heptaazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione [ACD/IUPAC Name]
(7S,11S)-9-{[1-(2-Méthoxyéthyl)-4-pipéridinyl]carbonyl}-17-méthyl-1,4,5,6,9,14,17-heptaazatétracyclo[17.3.1.13,6.07,11]tétracosa-3(24),4,19,21-tétraène-13,18,23-trione [French] [ACD/IUPAC Name]
5H-6,10-Methano-1,4-methenopyrrolo[3,4-r]-1,2,3,6,12,15-hexaazacyclononadecine-11,16,21-trione, 12,13,14,15,17,17a,18,19,20,20a-decahydro-19-[[1-(2-methoxyethyl)-4-piperidinyl]carbonyl]-12-methyl-, (1 7aS,20aS)- [ACD/Index Name]
rel-(17aS,20aS)-19-{[1-(2-methoxyethyl)piperidin-4-yl]carbonyl}-12-methyl-12,13,14,15,17,17a,18,19,20,20a-decahydro-6,10-methano-1,4-methenopyrrolo[3,4-r][1,2,3,6,12,15]hexaazacyclononadecine-11,16,21-trione

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: 1.691
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 385.9±7.0 cm3

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