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

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Properties Simple | Detailed

Formula C25H34N8O4S
IUPAC Name n-[3-(dimethylamino)propyl]-2-[[4-[(4-formamido-1-methyl-3h-pyrrol-1-ium-3-ide-2-carbonyl)amino]-1-methyl-3h-pyrrol-1-ium-3-ide-2-carbonyl]amino]-5-isopropyl-thiazole-4-carboxamide
Molecular Mass 542.654 g·mol−1
Heat of Formation -374.7 ± 16.7 kJ·mol−1
Dipole Moment 7.61 ± 1.08 D
Volume 640.05 Å 3
Surface Area 572.3 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 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)-
  • aik
  • n-(3-dimethylaminopropyl)-2-[[4-[(4-formamido-1-methyl-pyrrol-2-yl)carbonylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
  • n-(3-dimethylaminopropyl)-2-[[4-[(4-formamido-1-methyl-pyrrole-2-carbonyl)amino]-1-methyl-pyrrole-2-carbonyl]amino]-5-isopropyl-thiazole-4-carboxamide
  • n-(3-dimethylaminopropyl)-2-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxamide
  • n-(3-dimethylaminopropyl)-2-[[[4-[[(4-formamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-1-methyl-2-pyrrolyl]-oxomethyl]amino]-5-isopropyl-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-isopropyl-1,3-thiazole-4-carboxamide
InChIKey VDYCDKRATGWFDA-UHFFFAOYSA-N
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