Found 301 results

Search term: MF = 'C_{29}H_{30}ClN_{5}O_{4}'
ChemSpider 2D Image | (3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide | C29H30ClN5O4

(3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

  • Molecular FormulaC29H30ClN5O4
  • Average mass548.033 Da
  • Monoisotopic mass547.198608 Da
  • ChemSpider ID9436348

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-N-{(2R)-3-(4-Chlorophényl)-1-[4-(2-nitrophényl)-1-pipérazinyl]-1-oxo-2-propanyl}-1,2,3,4-tétrahydro-3-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
(3R)-N-{(2R)-3-(4-Chlorophenyl)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide [ACD/IUPAC Name]
(3R)-N-{(2R)-3-(4-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
(3R)-N-{(2R)-3-(4-Chlorphenyl)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-oxo-2-propanyl}-1,2,3,4-tetrahydro-3-isochinolincarboxamid [German] [ACD/IUPAC Name]
3-Isoquinolinecarboxamide, N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-, (3R)- [ACD/Index Name]
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-nitro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
CHEMBL167780

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

Density: 1.3±0.1 g/cm3
Boiling Point: 824.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.5±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 9.46
ACD/KOC (pH 5.5): 45.16
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 421.72
ACD/KOC (pH 7.4): 2013.93
Polar Surface Area: 111 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 58.4±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

Click to predict properties on the Chemicalize site


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