[(1R,5S,6R)-3-(4-{4-[(3-Methoxy-4-Phenoxyphenyl)Amino]-6-Quinazolinyl}Benzyl)-3-Azabicyclo[3.1.0]Hex-6-Yl]Methanol

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Properties Simple | Detailed

Formula C34H32N4O3
IUPAC Name [(1s,5r)-3-[[4-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
Molecular Mass 544.643 g·mol−1
Heat of Formation 181.9 ± 16.7 kJ·mol−1
Dipole Moment 7.07 ± 1.08 D
Volume 646.38 Å 3
Surface Area 561.58 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
InChIKey WZZXMNBOPNKKSX-BKHFGAQXSA-N
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