ChemSpider 2D Image | 4-(3-Methoxy-2-thienyl)-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide | C29H35N7O5S

4-(3-Methoxy-2-thienyl)-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC29H35N7O5S
  • Average mass593.697 Da
  • Monoisotopic mass593.242065 Da
  • ChemSpider ID23207626

More details:

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

1H-Pyrrole-2-carboxamide, 4-[[[4-(3-methoxy-2-thienyl)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-N-[1-methyl-5-[[[2-(4-morpholinyl)ethyl]amino]carbonyl]-1H-pyrrol-3-yl]- [ACD/Index Name]
4-(3-Methoxy-2-thienyl)-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
4-(3-Methoxy-2-thienyl)-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[2-(4-morpholinyl)ethyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
4-(3-Méthoxy-2-thiényl)-1-méthyl-N-{1-méthyl-5-[(1-méthyl-5-{[2-(4-morpholinyl)éthyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
4-(3-methoxythiophen-2-yl)-1-methyl-N-{1-methyl-5-[(1-methyl-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}-1H-pyrrol-3-yl)carbamoyl]-1H-pyrrol-3-yl}-1H-pyrrole-2-carboxamide
2N-{1-methyl-5-[2-(1,4-oxazinan-4-yl)ethylcarbamoyl]-1H-3-pyrrolyl}-4-[4-(3-methoxy-2-thienyl)-1-methyl-1H-2-pyrrolylcarboxamido]-1-methyl-1H-2-pyrrolecarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL338677/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.5±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 160.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.11
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 3.86
ACD/KOC (pH 7.4): 86.68
Polar Surface Area: 152 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 429.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement