ChemSpider 2D Image | (3R)-3-Cyclopentyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | C18H27N3O4S2

(3R)-3-Cyclopentyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide

  • Molecular FormulaC18H27N3O4S2
  • Average mass413.555 Da
  • Monoisotopic mass413.144287 Da
  • ChemSpider ID25060279
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3R)-3-Cyclopentyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazin-1,1-dioxid [German] [ACD/IUPAC Name]
(3R)-3-Cyclopentyl-7-[(4-methyl-1-piperazinyl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide [ACD/IUPAC Name]
(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide
1,1-Dioxyde de (3R)-3-cyclopentyl-7-[(4-méthyl-1-pipérazinyl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine [French] [ACD/IUPAC Name]
2H-1,2-Benzothiazine, 3-cyclopentyl-3,4-dihydro-7-[(4-methyl-1-piperazinyl)sulfonyl]-, 1,1-dioxide, (3R)- [ACD/Index Name]
(3R)-3-cyclopentyl-7-(4-methylpiperazin-1-ylsulfonyl)-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1-dione
(3R)-3-cyclopentyl-7-(4-methylpiperazine-1-sulfonyl)-3,4-dihydro-2H-1λ6,2-benzothiazine-1,1-dione
(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1λ⁶,2-benzothiazine-1,1-dione
NS6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 105.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 7.00
ACD/KOC (pH 5.5): 96.25
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.34
ACD/KOC (pH 7.4): 348.37
Polar Surface Area: 104 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

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