N-[(Trans-4-{[(4-Amino-2-Quinazolinyl)Amino]Methyl}Cyclohexyl)Methyl]-1-Naphthalenesulfonamide

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Properties Simple | Detailed

Formula C26H30N5O2S
IUPAC Name n-[[4-[[(4-λ1-azanyl-6,7-dihydro-5h-quinazoline-1,3-diium-4a,5,6,7-tetraid-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
Molecular Mass 476.614 g·mol−1
Heat of Formation -18.4 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 565.66 Å 3
Surface Area 481.01 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey UULIGRNKXHCLQN-WGSAOQKQSA-N
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