Found 160 results

Search term: MF = 'C_{31}H_{33}ClN_{4}O_{5}'
ChemSpider 2D Image | (2S,6R)-4-[(5-Chloro-3-pyridinyl)carbonyl]-11-[(2-methylphenoxy)acetyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.0~2,6~]icosa-1(20),16,18-trien-7-one | C31H33ClN4O5

(2S,6R)-4-[(5-Chloro-3-pyridinyl)carbonyl]-11-[(2-methylphenoxy)acetyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one

  • Molecular FormulaC31H33ClN4O5
  • Average mass577.070 Da
  • Monoisotopic mass576.213928 Da
  • ChemSpider ID107756791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,6R)-4-[(5-Chlor-3-pyridinyl)carbonyl]-11-[(2-methylphenoxy)acetyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-on [German] [ACD/IUPAC Name]
(2S,6R)-4-[(5-Chloro-3-pyridinyl)carbonyl]-11-[(2-methylphenoxy)acetyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one [ACD/IUPAC Name]
(2S,6R)-4-[(5-Chloro-3-pyridinyl)carbonyl]-11-[2-(2-méthylphénoxy)acétyl]-15-oxa-4,8,11-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trién-7-one [French] [ACD/IUPAC Name]
1H-17,13-Methenopyrrolo[3,4-j][1,5,8]oxadiazacyclohexadecin-4(5H)-one, 2-[(5-chloro-3-pyridinyl)carbonyl]-2,3,3a,6,7,8,9,10,11,17a-decahydro-8-[2-(2-methylphenoxy)acetyl]-, (3aR,17aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 838.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.8±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 162.46
ACD/KOC (pH 5.5): 1330.62
ACD/LogD (pH 7.4): 3.21
ACD/BCF (pH 7.4): 162.47
ACD/KOC (pH 7.4): 1330.70
Polar Surface Area: 101 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 458.5±3.0 cm3

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