Found 33 results

Search term: MF = 'C_{27}H_{29}ClN_{6}O_{5}'
ChemSpider 2D Image | (4S,8S)-20-Chloro-6-[(2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinyl)carbonyl]-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-2-one | C27H29ClN6O5

(4S,8S)-20-Chloro-6-[(2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinyl)carbonyl]-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-2-one

  • Molecular FormulaC27H29ClN6O5
  • Average mass553.009 Da
  • Monoisotopic mass552.188782 Da
  • ChemSpider ID62731607

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,8S)-20-Chlor-6-[(2-oxo-1,2,5,6,7,8-hexahydro-3-chinolinyl)carbonyl]-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-2-on [German] [ACD/IUPAC Name]
(4S,8S)-20-Chloro-6-[(2-oxo-1,2,5,6,7,8-hexahydro-3-quinoléinyl)carbonyl]-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-2-one [French] [ACD/IUPAC Name]
(4S,8S)-20-Chloro-6-[(2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinyl)carbonyl]-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-2-one [ACD/IUPAC Name]
2H,7H,16H-6,3:11,15-Dimethenopyrrolo[3,4-r]-1,10,4,5,6,17-dioxatetraazacyclononadecin-16-one, 12-chloro-19-[(1,2,5,6,7,8-hexahydro-2-oxo-3-quinolinyl)carbonyl]-8,9,17,17a,18,19,20,20a-octahydro-, (17a S,20aS)- [ACD/Index Name]
trans-12-chloro-19-[(2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]-8,9,17,17a,18,19,20,20a-octahydro-7H,16H-6,3:15,11-dimethenopyrrolo[3,4-r][1,10,4,5,6,17]dioxatetraazacyclononadecin-16-one

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.744
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.61
ACD/KOC (pH 5.5): 69.17
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.61
ACD/KOC (pH 7.4): 69.17
Polar Surface Area: 128 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 66.5±7.0 dyne/cm
Molar Volume: 350.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement