ChemSpider 2D Image | 3-(4-Morpholinylmethyl)-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,4-thiazepane | C20H30N2O3S2

3-(4-Morpholinylmethyl)-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,4-thiazepane

  • Molecular FormulaC20H30N2O3S2
  • Average mass410.594 Da
  • Monoisotopic mass410.169769 Da
  • ChemSpider ID30754859

More details:

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

1,4-Thiazepine, hexahydro-3-(4-morpholinylmethyl)-4-[(5,6,7,8-tetrahydro-2-naphthalenyl)sulfonyl]- [ACD/Index Name]
3-(4-Morpholinylméthyl)-4-(5,6,7,8-tétrahydro-2-naphtalénylsulfonyl)-1,4-thiazépane [French] [ACD/IUPAC Name]
3-(4-Morpholinylmethyl)-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)-1,4-thiazepane [ACD/IUPAC Name]
3-(4-Morpholinylmethyl)-4-(5,6,7,8-tetrahydro-2-naphthalinylsulfonyl)-1,4-thiazepan [German] [ACD/IUPAC Name]
1428380-40-8 [RN]
3-[(morpholin-4-yl)methyl]-4-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)-1,4-thiazepane
4-((4-((5,6,7,8-tetrahydronaphthalen-2-yl)sulfonyl)-1,4-thiazepan-3-yl)methyl)morpholine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.6±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 7.21
ACD/KOC (pH 5.5): 48.77
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 204.17
ACD/KOC (pH 7.4): 1380.13
Polar Surface Area: 84 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 331.0±3.0 cm3

Click to predict properties on the Chemicalize site


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