N-[3'-(2,4-Diamino-7-Quinazolinyl)-4'-Ethoxy-3-Biphenylyl]Methanesulfonamide

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Properties Simple | Detailed

Formula C23H23N5O3S
IUPAC Name n-[3-[3-(2,4-diaminoquinazolin-7-yl)-4-ethoxy-phenyl]phenyl]methanesulfonamide
Molecular Mass 449.525 g·mol−1
Heat of Formation -159.5 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 509.88 Å 3
Surface Area 451.01 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey KBZJKRXRDPRBNM-UHFFFAOYSA-N
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