4-{[(7R)-9-Cyclopentyl-7-Fluoro-5-Methyl-6-Oxo-7-Vinyl-6,7,8,9-Tetrahydro-5H-Pyrimido[4,5-B][1,4]Diazepin-2-Yl]Amino}-3-Methoxy-N-(4-Methyl-1-Piperazinyl)Benzamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H37FN8O3
IUPAC Name 4-[[(7r,9s)-9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-8h-pyrimido[4,5-b][1,4]diazepin-2-yl]amino]-3-methoxy-n-(4-methylpiperazin-1-yl)benzamide
Molecular Mass 552.644 g·mol−1
Heat of Formation -197.2 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 649.98 Å 3
Surface Area 550.3 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
InChIKey IVRPFXYSCCXTAK-MUUNZHRXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C F O N