ChemSpider 2D Image | (1S,16R)-18-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(4-chlorophenyl)acetyl]-10,21-dioxa-3,6,18-triazatetracyclo[9.8.3.0~1,16~.0~15,22~]docosa-11(22),12,14-trien-4-one | C33H39ClN4O6

(1S,16R)-18-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(4-chlorophenyl)acetyl]-10,21-dioxa-3,6,18-triazatetracyclo[9.8.3.01,16.015,22]docosa-11(22),12,14-trien-4-one

  • Molecular FormulaC33H39ClN4O6
  • Average mass623.139 Da
  • Monoisotopic mass622.255798 Da
  • ChemSpider ID107751403

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,16R)-18-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(4-chlorophenyl)acetyl]-10,21-dioxa-3,6,18-triazatetracyclo[9.8.3.01,16.015,22]docosa-11(22),12,14-trien-4-one [ACD/IUPAC Name]
(1S,16R)-18-[(1-Acetyl-4-piperidinyl)carbonyl]-6-[(4-chlorphenyl)acetyl]-10,21-dioxa-3,6,18-triazatetracyclo[9.8.3.01,16.015,22]docosa-11(22),12,14-trien-4-on [German] [ACD/IUPAC Name]
(1S,16R)-18-[(1-Acétyl-4-pipéridinyl)carbonyl]-6-[2-(4-chlorophényl)acétyl]-10,21-dioxa-3,6,18-triazatétracyclo[9.8.3.01,16.015,22]docosa-11(22),12,14-trién-4-one [French] [ACD/IUPAC Name]
4H-6,3a-(Epoxypropanoiminoethanoiminomethano)[1]benzopyrano[3,4-c]pyrrol-16-one, 2-[(1-acetyl-4-piperidinyl)carbonyl]-14-[2-(4-chlorophenyl)acetyl]-1,2,3,9b-tetrahydro-, (3aS,9bR)- [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: 886.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.9±3.0 kJ/mol
Flash Point: 490.1±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 164.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 26.98
ACD/KOC (pH 5.5): 368.10
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 26.98
ACD/KOC (pH 7.4): 368.10
Polar Surface Area: 108 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 452.8±5.0 cm3

Click to predict properties on the Chemicalize site


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