There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

ChemSpider 2D Image | AX211 | C16H15ClN6O4S


  • Molecular FormulaC16H15ClN6O4S
  • Average mass422.846 Da
  • Monoisotopic mass422.056396 Da
  • ChemSpider ID28534170
  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-{[(3S)-7-Chlor-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-methyl-4,5,6,8-tetrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-on [German] [ACD/IUPAC Name]
4-{[(3S)-7-Chloro-1,1-dioxido-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-methyl-4,5,6,8-tetrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one [ACD/IUPAC Name]
4-{[(3S)-7-Chloro-1,1-dioxydo-3,4-dihydro-2H-1,2,4-benzothiadiazin-3-yl]oxy}-5-méthyl-4,5,6,8-tétrahydroimidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one [French] [ACD/IUPAC Name]
7-chloro-3-({8-methyl-11-oxo-3,5,7,10- tetraazatricyclo[²,⁶]dodeca-1(9),2(6),4- trien-7-yl}oxy)-3,4-dihydro-2H-1λ⁶,2,4- benzothiadiazine-1,1-dione
Imidazo[4,5-b]pyrrolo[3,2-d]pyridin-7(1H)-one, 4-[[(3S)-7-chloro-3,4-dihydro-1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl]oxy]-4,5,6,8-tetrahydro-5-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.779
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.39
Polar Surface Area: 137 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 102.0±5.0 dyne/cm
Molar Volume: 236.7±5.0 cm3

Click to predict properties on the Chemicalize site