ChemSpider 2D Image | N-[3-(Dimethylamino)propyl]-2-{[(4-{[(4-formamido-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-5-isopropyl-1,3-thiazole-4-carboxamide | C25H34N8O4S

N-[3-(Dimethylamino)propyl]-2-{[(4-{[(4-formamido-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-5-isopropyl-1,3-thiazole-4-carboxamide

  • Molecular FormulaC25H34N8O4S
  • Average mass542.654 Da
  • Monoisotopic mass542.242371 Da
  • ChemSpider ID395198

More details:

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

4-Thiazolecarboxamide, N-[3-(dimethylamino)propyl]-2-[[[4-[[[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-1-methyl-1H-pyrrol-2-yl]carbonyl]amino]-5-(1-methylethyl)- [ACD/Index Name]
N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE
N-[3-(Dimethylamino)propyl]-2-{[(4-{[(4-formamido-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-5-isopropyl-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[3-(Dimethylamino)propyl]-2-{[(4-{[(4-formamido-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-5-isopropyl-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
N-[3-(Diméthylamino)propyl]-2-{[(4-{[(4-formamido-1-méthyl-1H-pyrrol-2-yl)carbonyl]amino}-1-méthyl-1H-pyrrol-2-yl)carbonyl]amino}-5-isopropyl-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
4-N-[3-(dimethylamino)propyl]-2-C-4-(4-formamido-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2--5-(propan-2-yl)-1,3-thiazole-2,4-diamido
AHI
AIK
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL303041/
N-[3-(dimethylamino)propyl]-2-[4-(4-formamido-1-methyl-1H-pyrrole-2-amido)-1-methyl-1H-pyrrole-2-amido]-5-(propan-2-yl)-1,3-thiazole-4-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS211369 [DBID]
AIDS-211369 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: -0.16
ACD/LogD (pH 5.5): -2.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


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