ChemSpider 2D Image | N-[(5alpha,6beta)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-N~2~-methyl-N~2~-(7-nitro-2,1,3-benzoxadiazol-4-yl)glycinamide | C29H32N6O7

N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-N2-methyl-N2-(7-nitro-2,1,3-benzoxadiazol-4-yl)glycinamide

  • Molecular FormulaC29H32N6O7
  • Average mass576.600 Da
  • Monoisotopic mass576.233276 Da
  • ChemSpider ID4677985

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acetamide, N-[(5α,6β)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-2-[methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]- [ACD/Index Name]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-N2-methyl-N2-(7-nitro-2,1,3-benzoxadiazol-4-yl)glycinamid [German] [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]-N2-methyl-N2-(7-nitro-2,1,3-benzoxadiazol-4-yl)glycinamide [ACD/IUPAC Name]
N-[(5α,6β)-17-(Cyclopropylméthyl)-3,14-dihydroxy-4,5-époxymorphinane-6-yl]-N2-méthyl-N2-(7-nitro-2,1,3-benzoxadiazol-4-yl)glycinamide [French] [ACD/IUPAC Name]
140164-86-9 [RN]
Acetamide, N-((5α,6bet)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)-2-(methyl(7-nitro-4-benzofurazanyl)amino)-
Asm 5-67
Asm-5-67
N-[(4R,4As,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]acetamide
N-Cyclopropylmethyl-3-hydroxy-14β-hydroxy-6β-(nbd sarcosinyl)-amino-epoxymorphinan

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.748
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 2.89
ACD/KOC (pH 7.4): 41.58
Polar Surface Area: 170 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 96.0±5.0 dyne/cm
Molar Volume: 363.8±5.0 cm3

Click to predict properties on the Chemicalize site


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