ChemSpider 2D Image | 2-{[6-(4-Chlorobenzyl)-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide | C27H23ClN4O3S2

2-{[6-(4-Chlorobenzyl)-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

  • Molecular FormulaC27H23ClN4O3S2
  • Average mass551.080 Da
  • Monoisotopic mass550.090027 Da
  • ChemSpider ID22495280

More details:

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

2-{[6-(4-Chlorbenzyl)-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamid [German] [ACD/IUPAC Name]
2-{[6-(4-Chlorobenzyl)-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide [ACD/IUPAC Name]
2-{[6-(4-Chlorobenzyl)-5,5-dioxydo-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}-N-(3,4-diméthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-[(4-chlorophenyl)methyl]-5,5-dioxido-6H-pyrimido[5,4-c][2,1]benzothiazin-2-yl]thio]-N-(3,4-dimethylphenyl)- [ACD/Index Name]
2-((6-(4-chlorobenzyl)-5,5-dioxido-6H-benzo[c]pyrimido[4,5-e][1,2]thiazin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide
2-({9-[(4-chlorophenyl)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-(3,4-dimethylphenyl)acetamide
2-[6-[(4-chlorophenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
899547-41-2 [RN]
MFCD01909771

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: 1.727
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4822.36
ACD/KOC (pH 5.5): 15068.37
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4822.48
ACD/KOC (pH 7.4): 15068.72
Polar Surface Area: 126 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 80.8±5.0 dyne/cm
Molar Volume: 369.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement