N-{(1S)-1-[4-(1H-Imidazol-1-Yl)Phenyl]Ethyl}-3-(4-Oxo-1,4-Dihydro-2-Quinazolinyl)Propanamide

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Properties Simple | Detailed

Formula C22H21N5O2+
IUPAC Name n-[(1s)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-oxoquinazolin-3-ium-2-yl)propanamide
Molecular Mass 387.434 g·mol−1
Heat of Formation 2.4 ± 16.7 kJ·mol−1
Dipole Moment 2.41 ± 1.08 D
Volume 460.53 Å 3
Surface Area 420.08 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(1s)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(4-keto-1h-quinazolin-2-yl)propionamide
  • n-[(1s)-1-[4-(1-imidazolyl)phenyl]ethyl]-3-(4-oxo-1h-quinazolin-2-yl)propanamide
InChIKey CXFUNVLSNZEBDZ-HNNXBMFYSA-N
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