ChemSpider 2D Image | (4aR,8aR)-4a-Hydroxy-7-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyloctahydro-2,7-naphthyridine-2(1H)-sulfonamide | C17H30N4O4S

(4aR,8aR)-4a-Hydroxy-7-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyloctahydro-2,7-naphthyridine-2(1H)-sulfonamide

  • Molecular FormulaC17H30N4O4S
  • Average mass386.509 Da
  • Monoisotopic mass386.198761 Da
  • ChemSpider ID29516128

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aR)-4a-Hydroxy-7-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyloctahydro-2,7-naphthyridin-2(1H)-sulfonamid [German] [ACD/IUPAC Name]
(4aR,8aR)-4a-Hydroxy-7-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N,N-dimethyloctahydro-2,7-naphthyridine-2(1H)-sulfonamide [ACD/IUPAC Name]
(4aR,8aR)-4a-Hydroxy-7-[(3-isopropyl-1,2-oxazol-5-yl)méthyl]-N,N-diméthyloctahydro-2,7-naphtyridine-2(1H)-sulfonamide [French] [ACD/IUPAC Name]
2,7-Naphthyridine-2(1H)-sulfonamide, octahydro-4a-hydroxy-N,N-dimethyl-7-[[3-(1-methylethyl)-5-isoxazolyl]methyl]-, (4aR,8aR)- [ACD/Index Name]
(4aR*,8aR*)-4a-hydroxy-7-[(3-isopropylisoxazol-5-yl)methyl]-N,N-dimethyloctahydro-2,7-naphthyridine-2(1H)-sulfonamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 547.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 285.2±30.1 °C
Index of Refraction: 1.594
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.28
ACD/LogD (pH 5.5): -1.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 17.72
Polar Surface Area: 99 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 294.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement