ChemSpider 2D Image | (4aR,8aR)-1-Methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]octahydro-1,7-naphthyridine-4a(2H)-carboxamide | C15H27N7O3S

(4aR,8aR)-1-Methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]octahydro-1,7-naphthyridine-4a(2H)-carboxamide

  • Molecular FormulaC15H27N7O3S
  • Average mass385.485 Da
  • Monoisotopic mass385.189606 Da
  • ChemSpider ID81379805

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aR)-1-Methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]octahydro-1,7-naphthyridin-4a(2H)-carboxamid [German] [ACD/IUPAC Name]
(4aR,8aR)-1-Methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]octahydro-1,7-naphthyridine-4a(2H)-carboxamide [ACD/IUPAC Name]
(4aR,8aR)-1-Méthyl-7-(méthylsulfonyl)-N-[3-(1H-tétrazol-5-yl)propyl]octahydro-1,7-naphtyridine-4a(2H)-carboxamide [French] [ACD/IUPAC Name]
1,7-Naphthyridine-4a(2H)-carboxamide, octahydro-1-methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]-, (4aR,8aR)- [ACD/Index Name]
rel-(4aR,8aR)-1-methyl-7-(methylsulfonyl)-N-[3-(1H-tetrazol-5-yl)propyl]octahydro-1,7-naphthyridine-4a(2H)-carboxamide

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: 1.601
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.79
ACD/LogD (pH 5.5): -3.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 73.6±5.0 dyne/cm
Molar Volume: 277.8±5.0 cm3

Click to predict properties on the Chemicalize site


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