ChemSpider 2D Image | (6R,12R,15S,18S)-6-Benzyl-15-methyl-18-[(3-oxo-1-piperazinyl)carbonyl]-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.0~8,12~]tetracosa-1(22),20,23-triene-4,7,13,16-tetrone | C32H38N6O7

(6R,12R,15S,18S)-6-Benzyl-15-methyl-18-[(3-oxo-1-piperazinyl)carbonyl]-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-triene-4,7,13,16-tetrone

  • Molecular FormulaC32H38N6O7
  • Average mass618.680 Da
  • Monoisotopic mass618.280212 Da
  • ChemSpider ID62731069

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6R,12R,15S,18S)-6-Benzyl-15-methyl-18-[(3-oxo-1-piperazinyl)carbonyl]-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-trien-4,7,13,16-tetron [German] [ACD/IUPAC Name]
(6R,12R,15S,18S)-6-Benzyl-15-methyl-18-[(3-oxo-1-piperazinyl)carbonyl]-2-oxa-5,8,14,17-tetraazatricyclo[18.2.2.08,12]tetracosa-1(22),20,23-triene-4,7,13,16-tetrone [ACD/IUPAC Name]
(6R,12R,15S,18S)-6-Benzyl-15-méthyl-18-[(3-oxo-1-pipérazinyl)carbonyl]-2-oxa-5,8,14,17-tétraazatricyclo[18.2.2.08,12]tétracosa-1(22),20,23-triène-4,7,13,16-tétrone [French] [ACD/IUPAC Name]
8,11-Etheno-1H,13H-pyrrolo[1,2-g][1,4,7,10,13]oxatetraazacyclononadecine-1,4,14,17(5H)-tetrone, 2,3,6,7,15,16,19,20,21,21a-decahydro-3-methyl-6-[(3-oxo-1-piperazinyl)carbonyl]-16-(phenylmethyl)-, (3S, 6S,16R,21aR)- [ACD/Index Name]
(3S,6S,16R,21aR)-16-benzyl-3-methyl-6-[(3-oxopiperazin-1-yl)carbonyl]-2,3,6,7,15,16,19,20,21,21a-decahydro-1H,13H-8,11-ethenopyrrolo[1,2-g][1,4,7,10,13]oxatetraazacyclononadecine-1,4,14,17(5H)-tetrone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1072.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 602.5±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 162.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -3.09
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.56
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 166 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 449.5±5.0 cm3

Click to predict properties on the Chemicalize site


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