ChemSpider 2D Image | 2-[(9-Chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxybenzyl)acetamide | C21H19ClN4O4S2

2-[(9-Chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxybenzyl)acetamide

  • Molecular FormulaC21H19ClN4O4S2
  • Average mass490.983 Da
  • Monoisotopic mass490.053619 Da
  • ChemSpider ID29075127

More details:

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

2-[(9-Chlor-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxybenzyl)acetamid [German] [ACD/IUPAC Name]
2-[(9-Chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxybenzyl)acetamide [ACD/IUPAC Name]
2-[(9-Chloro-6-méthyl-5,5-dioxydo-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-méthoxybenzyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(9-chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)thio]-N-[(2-methoxyphenyl)methyl]- [ACD/Index Name]
1111281-27-6 [RN]
2-((9-chloro-6-methyl-5,5-dioxido-6H-benzo[c]pyrimido[4,5-e][1,2]thiazin-2-yl)thio)-N-(2-methoxybenzyl)acetamide
2-({13-chloro-9-methyl-8,8-dioxo-8λ6-thia-3,5,9-triazatricyclo[8.4.0.02,7]tetradeca-1(14),2(7),3,5,10,12-hexaen-4-yl}sulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
2-[(9-chloro-6-methyl-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl)thio]-N-(2-methoxybenzyl)acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.709
Molar Refractivity: 123.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 120.69
ACD/KOC (pH 5.5): 1075.67
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 120.69
ACD/KOC (pH 7.4): 1075.67
Polar Surface Area: 135 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 317.3±5.0 cm3

Click to predict properties on the Chemicalize site


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