ChemSpider 2D Image | PZM21 | C19H27N3O2S

PZM21

  • Molecular FormulaC19H27N3O2S
  • Average mass361.502 Da
  • Monoisotopic mass361.182404 Da
  • ChemSpider ID58145207
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1-[(2S)-2-(Dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(3-thienyl)-2-propanyl]harnstoff [German] [ACD/IUPAC Name]
1-[(2S)-2-(Dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(3-thienyl)-2-propanyl]urea [ACD/IUPAC Name]
1-[(2S)-2-(Diméthylamino)-3-(4-hydroxyphényl)propyl]-3-[(2S)-1-(3-thiényl)-2-propanyl]urée [French] [ACD/IUPAC Name]
PZM21 [Wiki]
Urea, N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-N'-[(1S)-1-methyl-2-(3-thienyl)ethyl]- [ACD/Index Name]
(S,S)-1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
(S,S)-21 [PMID: 27533032]
1-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[(2S)-1-(thiophen-3-yl)propan-2-yl]urea
1997387-43-5 [RN]
CPD1562
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 583.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 306.9±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.80
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 14.72
ACD/KOC (pH 7.4): 140.12
Polar Surface Area: 93 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 309.2±3.0 cm3

Click to predict properties on the Chemicalize site






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