Formula |
C29H28N2O3S |
IUPAC Name |
(2r)-2-[3-[(2,6-dimethylphenyl)sulfanylmethyl]-4-methoxy-phenyl]-3-(2-furylmethyl)-1,2-dihydroquinazolin-4-one |
Molecular Mass |
484.609 g·mol−1 |
Heat of Formation |
-138.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.87 ± 1.08 D |
Volume |
577.05 Å 3 |
Surface Area |
398.01 Å 2 |
HOMO Energy |
-8.14 ± 0.55 eV |
LUMO Energy |
2.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ASZIKWJJTKOICE-MUUNZHRXSA-N |
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Elements |
H
S
C
O
N
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