ChemSpider 2D Image | N-[(3-Amino-3-oxetanyl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-4-quinazolinamine | C22H25N5O3S

N-[(3-Amino-3-oxetanyl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-4-quinazolinamine

  • Molecular FormulaC22H25N5O3S
  • Average mass439.531 Da
  • Monoisotopic mass439.167816 Da
  • ChemSpider ID58810221

More details:

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

1422500-60-4 [RN]
4-(4-(((3-Aminooxetan-3-yl)methyl)amino)-6-methylquinazolin-2-yl)-2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide
4-Quinazolinamine, N-[(3-amino-3-oxetanyl)methyl]-2-(2,3-dihydro-1,1-dioxido-1,4-benzothiazepin-4(5H)-yl)-6-methyl- [ACD/Index Name]
N-[(3-Amino-3-oxetanyl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-4-chinazolinamin [German] [ACD/IUPAC Name]
N-[(3-Amino-3-oxetanyl)methyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-4-quinazolinamine [ACD/IUPAC Name]
N-[(3-Amino-3-oxétanyl)méthyl]-2-(1,1-dioxydo-2,3-dihydro-1,4-benzothiazépin-4(5H)-yl)-6-méthyl-4-quinazolinamine [French] [ACD/IUPAC Name]
1422500-60-4 (free base)
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4468815/
Ziresovir
zirésovir
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 745.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 119.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.16
ACD/KOC (pH 7.4): 61.51
Polar Surface Area: 119 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 316.2±3.0 cm3

Click to predict properties on the Chemicalize site


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