Found 26 results

Search term: MF = 'C_{29}H_{34}N_{6}O_{4}S_{2}'
ChemSpider 2D Image | (4S,18S)-18-Benzyl-14-(cyclopropylcarbonyl)-4-isopropyl-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.1~5,8~]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,16-trione | C29H34N6O4S2

(4S,18S)-18-Benzyl-14-(cyclopropylcarbonyl)-4-isopropyl-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,16-trione

  • Molecular FormulaC29H34N6O4S2
  • Average mass594.748 Da
  • Monoisotopic mass594.208313 Da
  • ChemSpider ID81381801

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,18S)-18-Benzyl-14-(cyclopropylcarbonyl)-4-isopropyl-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraen-2,9,16-trion [German] [ACD/IUPAC Name]
(4S,18S)-18-Benzyl-14-(cyclopropylcarbonyl)-4-isopropyl-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tetraene-2,9,16-trione [ACD/IUPAC Name]
(4S,18S)-18-Benzyl-14-(cyclopropylcarbonyl)-4-isopropyl-6,20-dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-1(21),5(23),7,19(22)-tétraène-2,9,16-trione [French] [ACD/IUPAC Name]
6,20-Dithia-3,10,14,17,22,23-hexaazatricyclo[17.2.1.15,8]tricosa-5(23),7,19(22),21-tetraene-2,9,16-trione, 14-(cyclopropylcarbonyl)-4-(1-methylethyl)-18-(phenylmethyl)-, (4S,18S)- [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: 956.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.4±3.0 kJ/mol
Flash Point: 532.2±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 157.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.56
ACD/KOC (pH 5.5): 86.31
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.56
ACD/KOC (pH 7.4): 86.31
Polar Surface Area: 190 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 466.2±3.0 cm3

Click to predict properties on the Chemicalize site


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