N-[3-(4-{[(1S)-2-Hydroxy-1-Phenylethyl]Amino}-6-Phenylfuro[2,3-D]Pyrimidin-5-Yl)Phenyl]-N~3~,N~3~-Dimethyl-β-Alaninamide

Molecule SVG Image

Properties Simple | Detailed

Formula C31H31N5O3
IUPAC Name 3-(dimethylamino)-n-[3-[4-[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
Molecular Mass 521.610 g·mol−1
Heat of Formation -16.0 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 633.56 Å 3
Surface Area 518.38 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
InChIKey ASCVQXWPIHGQIB-RUZDIDTESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N