Found 1 result

Search term: RQQWEQZHCLJHSS-IWQNTTPNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1S,2R)-2-{(4S)-2-Methyl-4-[1-({1-[4-(4-pyridinylsulfonyl)phenyl]-3-azetidinyl}methyl)-4-piperidinyl]-1,2,3,4-tetrahydro-4-isoquinolinyl}cyclopentyl methylcarbamate | C37H47N5O4S

(1S,2R)-2-{(4S)-2-Methyl-4-[1-({1-[4-(4-pyridinylsulfonyl)phenyl]-3-azetidinyl}methyl)-4-piperidinyl]-1,2,3,4-tetrahydro-4-isoquinolinyl}cyclopentyl methylcarbamate

  • Molecular FormulaC37H47N5O4S
  • Average mass657.865 Da
  • Monoisotopic mass657.334900 Da
  • ChemSpider ID88298030

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R)-2-{(4S)-2-Methyl-4-[1-({1-[4-(4-pyridinylsulfonyl)phenyl]-3-azetidinyl}methyl)-4-piperidinyl]-1,2,3,4-tetrahydro-4-isochinolinyl}cyclopentyl-methylcarbamat [German] [ACD/IUPAC Name]
(1S,2R)-2-{(4S)-2-Methyl-4-[1-({1-[4-(4-pyridinylsulfonyl)phenyl]-3-azetidinyl}methyl)-4-piperidinyl]-1,2,3,4-tetrahydro-4-isoquinolinyl}cyclopentyl methylcarbamate [ACD/IUPAC Name]
Cyclopentanol, 2-[(4S)-1,2,3,4-tetrahydro-2-methyl-4-[1-[[1-[4-(4-pyridinylsulfonyl)phenyl]-3-azetidinyl]methyl]-4-piperidinyl]-4-isoquinolinyl]-, methylcarbamate (ester), (1S,2R)- [ACD/Index Name]
Méthylcarbamate de (1S,2R)-2-{(4S)-2-méthyl-4-[1-({1-[4-(4-pyridinylsulfonyl)phényl]-3-azétidinyl}méthyl)-4-pipéridinyl]-1,2,3,4-tétrahydro-4-isoquinoléinyl}cyclopentyle [French] [ACD/IUPAC Name]
(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
[(1S,2R)-2-[(4S)-2-methyl-4-[1-[[1-(4-pyridin-4-ylsulfonylphenyl)azetidin-3-yl]methyl]piperidin-4-yl]-1,3-dihydroisoquinolin-4-yl]cyclopentyl] N-methylcarbamate
2363165-42-6 [RN]
M?89
M-89

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

Density: 1.3±0.1 g/cm3
Boiling Point: 802.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 439.0±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 184.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 9.08
Polar Surface Area: 103 Å2
Polarizability: 73.1±0.5 10-24cm3
Surface Tension: 66.0±5.0 dyne/cm
Molar Volume: 500.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement