N-[Trans-4-(4-Cyanophenoxy)Cyclohexyl]-3-[(4-Oxo-1,4-Dihydro-2-Quinazolinyl)Sulfanyl]Propanamide

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Properties Simple | Detailed

Formula C24H24N4O3S
IUPAC Name n-[4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3h-quinazolin-2-yl)sulfanyl]propanamide
Molecular Mass 448.537 g·mol−1
Heat of Formation -211.8 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 524.19 Å 3
Surface Area 473.81 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.02 ± eV
Point Group Symmetry C1
InChIKey MCMCBDOVNWSRNM-UAPYVXQJSA-N
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