ChemSpider 2D Image | (2R)-2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(phenylsulfonyl)acetamide | C28H30N4O5S

(2R)-2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(phenylsulfonyl)acetamide

  • Molecular FormulaC28H30N4O5S
  • Average mass534.627 Da
  • Monoisotopic mass534.193665 Da
  • ChemSpider ID30833142

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[(1-Amino-6-isochinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(phenylsulfonyl)acetamid [German] [ACD/IUPAC Name]
(2R)-2-[(1-Amino-6-isoquinoléinyl)amino]-2-(3-éthoxy-4-isopropoxyphényl)-N-(phénylsulfonyl)acétamide [French] [ACD/IUPAC Name]
(2R)-2-[(1-Amino-6-isoquinolinyl)amino]-2-(3-ethoxy-4-isopropoxyphenyl)-N-(phenylsulfonyl)acetamide [ACD/IUPAC Name]
(2r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-2-[3-Ethoxy-4-(Propan-2-Yloxy)phenyl]-N-(Phenylsulfonyl)ethanamide
Benzeneacetamide, α-[(1-amino-6-isoquinolinyl)amino]-3-ethoxy-4-(1-methylethoxy)-N-(phenylsulfonyl)-, (αR)- [ACD/Index Name]
1OK

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.644
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 8.19
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 9.39
Polar Surface Area: 141 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 406.5±3.0 cm3

Click to predict properties on the Chemicalize site


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