Ethyl 5-{[(2R)-1-Ethoxy-1,3-Dioxo-2-Butanyl]Sulfanyl}-1,2-Dihydro[1,2,3]Triazolo[1,5-A]Quinazoline-3-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C18H15N4O5S
IUPAC Name ethyl 5-{[(2r)-1-ethoxy-1,3-dioxo-2-butanyl]sulfanyl}-1,2-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
Molecular Mass 399.400 g·mol−1
Heat of Formation 2387.6 ± 16.7 kJ·mol−1
Dipole Moment 24.07 ± 1.08 D
Volume 410.6 Å 3
Surface Area 389.93 Å 2
HOMO Energy -7.87 ± 0.55 eV
LUMO Energy -3.55 ± eV
Point Group Symmetry C1
InChIKey JTPUHTLSVQEMRB-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C S O N