(10R)-10-Methyl-3-(6-Methyl-3-Pyridinyl)-9,10,11,12-Tetrahydro-8H-[1,4]Diazepino[5',6':4,5]Thieno[3,2-F]Quinolin-8-One

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Properties Simple | Detailed

Formula C21H18N4OS
IUPAC Name (15r)-15-methyl-5-(6-methyl-3-pyridyl)-11-thia-6,14,17-triazatetracyclo[8.8.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one
Molecular Mass 374.459 g·mol−1
Heat of Formation 202.0 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 422.19 Å 3
Surface Area 374.29 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy -1.65 ± eV
Point Group Symmetry C1
InChIKey CMWRPDHVGMHLSZ-GFCCVEGCSA-N
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