ChemSpider 2D Image | N-{2-Methyl-1-oxo-1-[(4S,8S)-10-oxo-3,17-dioxa-6,9,12,20,21,22-hexaazatetracyclo[18.2.1.0~4,8~.0~11,16~]tricosa-1(23),11,13,15,21-pentaen-6-yl]-2-propanyl}acetamide | C21H27N7O5

N-{2-Methyl-1-oxo-1-[(4S,8S)-10-oxo-3,17-dioxa-6,9,12,20,21,22-hexaazatetracyclo[18.2.1.04,8.011,16]tricosa-1(23),11,13,15,21-pentaen-6-yl]-2-propanyl}acetamide

  • Molecular FormulaC21H27N7O5
  • Average mass457.483 Da
  • Monoisotopic mass457.207367 Da
  • ChemSpider ID62731486
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Acetamide, N-[1,1-dimethyl-2-[(13aS,16aS)-6,7,13a,14,16,16a,17,18-octahydro-18-oxo-8,11-metheno-12H,15H-pyrido[2,3-n]pyrrolo[3,4-j][1,9,4,5,6,12]dioxatetraazacyclopentadecin-15-yl]-2-oxoethyl]- [ACD/Index Name]
N-{2-Methyl-1-oxo-1-[(4S,8S)-10-oxo-3,17-dioxa-6,9,12,20,21,22-hexaazatetracyclo[18.2.1.04,8.011,16]tricosa-1(23),11,13,15,21-pentaen-6-yl]-2-propanyl}acetamid [German] [ACD/IUPAC Name]
N-{2-Methyl-1-oxo-1-[(4S,8S)-10-oxo-3,17-dioxa-6,9,12,20,21,22-hexaazatetracyclo[18.2.1.04,8.011,16]tricosa-1(23),11,13,15,21-pentaen-6-yl]-2-propanyl}acetamide [ACD/IUPAC Name]
N-{2-Méthyl-1-oxo-1-[(4S,8S)-10-oxo-3,17-dioxa-6,9,12,20,21,22-hexaazatétracyclo[18.2.1.04,8.011,16]tricosa-1(23),11,13,15,21-pentaén-6-yl]-2-propanyl}acétamide [French] [ACD/IUPAC Name]
N-{1,1-dimethyl-2-oxo-2-[trans-18-oxo-6,7,13a,14,16,16a,17,18-octahydro-15H-8,11-methenopyrido[2,3-n]pyrrolo[3,4-j][1,9,4,5,6,12]dioxatetraazacyclopentadecin-15-yl]ethyl}acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 117.6±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.78
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.78
Polar Surface Area: 141 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 60.2±7.0 dyne/cm
Molar Volume: 309.0±7.0 cm3

Click to predict properties on the Chemicalize site






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