Found 372 results

Search term: MF = 'C_{31}H_{41}N_{5}O_{5}'
ChemSpider 2D Image | 1-[(1R,5S,21S,24R)-7-Benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.0~5,10~.0~12,17~]pentacosa-12,14,16-trien-24-yl]-3-isopropylurea | C31H41N5O5

1-[(1R,5S,21S,24R)-7-Benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3-isopropylurea

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID65259731

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(1R,5S,21S,24R)-7-Benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3-isopropylharnstoff [German] [ACD/IUPAC Name]
1-[(1R,5S,21S,24R)-7-Benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trien-24-yl]-3-isopropylurea [ACD/IUPAC Name]
1-[(1R,5S,21S,24R)-7-Benzyl-4,11-dioxo-18,25-dioxa-3,7,10-triazatétracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-trién-24-yl]-3-isopropylurée [French] [ACD/IUPAC Name]
Urea, N-(1-methylethyl)-N'-[(14S,17R,18R,21aS)-1,3,4,12,13,14,15,16,17,18,19,20,21,21a-tetradecahydro-6,21-dioxo-2-(phenylmethyl)-14,18-epoxy-2H,6H-pyrazino[2,1-l][1,10,13]benzoxadiazacyclohexadecin-1 7-yl]- [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: 826.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.6±34.3 °C
Index of Refraction: 1.622
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 27.31
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 15.44
ACD/KOC (pH 7.4): 239.62
Polar Surface Area: 112 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 442.5±5.0 cm3

Click to predict properties on the Chemicalize site


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