ChemSpider 2D Image | N-Propyl-10-[(2S)-1-(1-pyrrolidinyl)-2-propanyl]-10H-phenothiazine-2-carboxamide | C23H29N3OS

N-Propyl-10-[(2S)-1-(1-pyrrolidinyl)-2-propanyl]-10H-phenothiazine-2-carboxamide

  • Molecular FormulaC23H29N3OS
  • Average mass395.561 Da
  • Monoisotopic mass395.203125 Da
  • ChemSpider ID23161946

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

10H-Phenothiazine-2-carboxamide, 10-[(1S)-1-methyl-2-(1-pyrrolidinyl)ethyl]-N-propyl- [ACD/Index Name]
N-Propyl-10-[(2S)-1-(1-pyrrolidinyl)-2-propanyl]-10H-phenothiazin-2-carboxamid [German] [ACD/IUPAC Name]
N-Propyl-10-[(2S)-1-(1-pyrrolidinyl)-2-propanyl]-10H-phenothiazine-2-carboxamide [ACD/IUPAC Name]
N-Propyl-10-[(2S)-1-(1-pyrrolidinyl)-2-propanyl]-10H-phénothiazine-2-carboxamide [French] [ACD/IUPAC Name]
N-propyl-10-[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]-10H-phenothiazine-2-carboxamide
(R)- 10-(1-Methyl-2-pyrrolidin-1-yl-ethyl)-10H-phenothiazine-2- carboxylic acid propylamide (RP 60180)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL303867/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.4±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 117.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 7.24
ACD/LogD (pH 7.4): 2.39
ACD/BCF (pH 7.4): 10.91
ACD/KOC (pH 7.4): 42.72
Polar Surface Area: 61 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 337.9±3.0 cm3

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