ChemSpider 2D Image | (3S)-3-Cyclopentyl-6-methyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | C18H28N4O4S2

(3S)-3-Cyclopentyl-6-methyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide

  • Molecular FormulaC18H28N4O4S2
  • Average mass428.569 Da
  • Monoisotopic mass428.155182 Da
  • ChemSpider ID25060278

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Cyclopentyl-6-methyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S)-3-Cyclopentyl-6-methyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide [ACD/IUPAC Name]
(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide
1,1-Dioxyde de (3S)-3-cyclopentyl-6-méthyl-7-[(4-méthyl-1-pipérazinyl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine [French] [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine, 3-cyclopentyl-3,4-dihydro-6-methyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-, 1,1-dioxide, (3S)- [ACD/Index Name]
(3S)-3-cyclopentyl-6-methyl-7-(4-methylpiperazin-1-ylsulfonyl)-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-1,1-dione
(3S)-3-cyclopentyl-6-methyl-7-(4-methylpiperazine-1-sulfonyl)-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-1,1-dione
(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1λ⁶,2,4-benzothiadiazine-1,1-dione
NS3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 610.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 322.9±34.3 °C
Index of Refraction: 1.596
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 4.91
ACD/KOC (pH 5.5): 76.17
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.53
ACD/KOC (pH 7.4): 256.65
Polar Surface Area: 116 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 319.9±3.0 cm3

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