ChemSpider 2D Image | 1,1-Dimethyl-3-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.1~11,14~.0~4,8~]tetracosa-1(23),11(24),12,19,21-pentaen-6-yl]ethyl}urea | C22H29N7O5

1,1-Dimethyl-3-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-6-yl]ethyl}urea

  • Molecular FormulaC22H29N7O5
  • Average mass471.510 Da
  • Monoisotopic mass471.223022 Da
  • ChemSpider ID70956105

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,1-Dimethyl-3-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-6-yl]ethyl}harnstoff [German] [ACD/IUPAC Name]
1,1-Dimethyl-3-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-6-yl]ethyl}urea [ACD/IUPAC Name]
1,1-Diméthyl-3-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatétracyclo[17.3.1.111,14.04,8]tétracosa-1(23),11(24),12,19,21-pentaén-6-yl]éthyl}urée [French] [ACD/IUPAC Name]
Urea, N,N-dimethyl-N'-[2-[(17aS,20aS)-8,9,16,17,17a,18,20,20a-octahydro-16-oxo-2H,7H,19H-6,3:11,15-dimethenopyrrolo[3,4-r]-1,10,4,5,6,17-dioxatetraazacyclononadecin-19-yl]-2-oxoethyl]- [ACD/Index Name]
N,N-dimethyl-N'-{2-oxo-2-[(4S,8S)-2-oxo-9,18-dioxa-3,6,12,13,14-pentaazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-6-yl]ethyl}urea

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: 1.676
Molar Refractivity: 122.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.05
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.04
Polar Surface Area: 131 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

Click to predict properties on the Chemicalize site


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