Found 17 results

Search term: MF = 'C_{29}H_{40}N_{8}O_{3}S'
ChemSpider 2D Image | (4S,13S,19S)-4-Benzyl-19-isobutyl-13-isopropyl-7-methyl-21-thia-3,6,8,9,12,15,18,23-octaazatricyclo[18.2.1.0~5,9~]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione | C29H40N8O3S

(4S,13S,19S)-4-Benzyl-19-isobutyl-13-isopropyl-7-methyl-21-thia-3,6,8,9,12,15,18,23-octaazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

  • Molecular FormulaC29H40N8O3S
  • Average mass580.745 Da
  • Monoisotopic mass580.294434 Da
  • ChemSpider ID71342202

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,13S,19S)-4-Benzyl-19-isobutyl-13-isopropyl-7-methyl-21-thia-3,6,8,9,12,15,18,23-octaazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraen-2,11,17-trion [German] [ACD/IUPAC Name]
(4S,13S,19S)-4-Benzyl-19-isobutyl-13-isopropyl-7-methyl-21-thia-3,6,8,9,12,15,18,23-octaazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione [ACD/IUPAC Name]
(4S,13S,19S)-4-Benzyl-19-isobutyl-13-isopropyl-7-méthyl-21-thia-3,6,8,9,12,15,18,23-octaazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tétraène-2,11,17-trione [French] [ACD/IUPAC Name]
18,15-Nitrilo-19H-[1,2,4]triazolo[1,5-m][1,4,7,10,13,16]thiapentaazacyclononadecine-6,12,19(5H,7H)-trione, 8,9,10,11,13,14,20,21-octahydro-2-methyl-8-(1-methylethyl)-14-(2-methylpropyl)-21-(phenylmeth yl)-, (8S,14S,21S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.94
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.06
ACD/KOC (pH 7.4): 76.72
Polar Surface Area: 171 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 430.3±7.0 cm3

Click to predict properties on the Chemicalize site


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