S-{3-[(4-Anilino-6-Quinazolinyl)Amino]-3-Oxopropyl}-L-Cysteine

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Properties Simple | Detailed

Formula C20H21N5O3S
IUPAC Name (2r)-2-amino-3-[3-[(4-anilinoquinazolin-6-yl)amino]-3-oxo-propyl]sulfanyl-propanoic acid
Molecular Mass 411.477 g·mol−1
Heat of Formation -200.7 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 470.25 Å 3
Surface Area 428.54 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.04 ± eV
Point Group Symmetry C1
InChIKey NLVZTRZPMRTVRC-INIZCTEOSA-N
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