Found 387 results

Search term: MF = 'C_{21}H_{27}N_{5}O_{6}'
ChemSpider 2D Image | Ethyl 3-[(2-methyl-3-{[3-(3-methyl-1H-pyrazol-4-yl)propyl]amino}-3-oxopropyl)carbamoyl]-5-nitrobenzoate | C21H27N5O6

Ethyl 3-[(2-methyl-3-{[3-(3-methyl-1H-pyrazol-4-yl)propyl]amino}-3-oxopropyl)carbamoyl]-5-nitrobenzoate

  • Molecular FormulaC21H27N5O6
  • Average mass445.469 Da
  • Monoisotopic mass445.196136 Da
  • ChemSpider ID30223065

More details:

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

3-[(2-Méthyl-3-{[3-(3-méthyl-1H-pyrazol-4-yl)propyl]amino}-3-oxopropyl)carbamoyl]-5-nitrobenzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[[2-methyl-3-[[3-(3-methyl-1H-pyrazol-4-yl)propyl]amino]-3-oxopropyl]amino]carbonyl]-5-nitro-, ethyl ester [ACD/Index Name]
Ethyl 3-[(2-methyl-3-{[3-(3-methyl-1H-pyrazol-4-yl)propyl]amino}-3-oxopropyl)carbamoyl]-5-nitrobenzoate [ACD/IUPAC Name]
Ethyl-3-[(2-methyl-3-{[3-(3-methyl-1H-pyrazol-4-yl)propyl]amino}-3-oxopropyl)carbamoyl]-5-nitrobenzoat [German] [ACD/IUPAC Name]
ETHYL 3-[(2-METHYL-2-{[3-(3-METHYL-1H-PYRAZOL-4-YL)PROPYL]CARBAMOYL}ETHYL)CARBAMOYL]-5-NITROBENZOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.578
Molar Refractivity: 116.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.36
ACD/KOC (pH 5.5): 367.76
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.41
ACD/KOC (pH 7.4): 381.89
Polar Surface Area: 159 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 349.9±3.0 cm3

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