ChemSpider 2D Image | 4-(1-{2-[(3S)-1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide | C24H35Cl2N5O3S

4-(1-{2-[(3S)-1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide

  • Molecular FormulaC24H35Cl2N5O3S
  • Average mass544.537 Da
  • Monoisotopic mass543.183777 Da
  • ChemSpider ID8091021
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperazinesulfonamide, 4-[1-[2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl]-3-azetidinyl]- [ACD/Index Name]
4-(1-{2-[(3S)-1-(Cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinesulfonamide [ACD/IUPAC Name]
4-(1-{2-[(3S)-1-(Cyclopropylméthyl)-3-(3,4-dichlorophényl)-6-oxo-3-pipéridinyl]éthyl}-3-azétidinyl)-1-pipérazinesulfonamide [French] [ACD/IUPAC Name]
4-(1-{2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl}azetidin-3-yl)piperazine-1-sulfonamide
4-(1-{2-[(3S)-1-(Cyclopropylmethyl)-3-(3,4-dichlorphenyl)-6-oxo-3-piperidinyl]ethyl}-3-azetidinyl)-1-piperazinsulfonamid [German] [ACD/IUPAC Name]
10.1016/j.bmcl.2005.05.134
4-(1-{2-[(S)-1-Cyclopropylmethyl-3-(3,4-dichloro-phenyl)-6-oxo-piperidin-3-yl]-ethyl}-azetidin-3-yl)-piperazine-1-sulfonic acid amide
UK-224671

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 710.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 383.6±35.7 °C
Index of Refraction: 1.663
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 99 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 70.8±5.0 dyne/cm
Molar Volume: 376.9±5.0 cm3

Click to predict properties on the Chemicalize site






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