4-{3-[(4-Chlorophenyl)Amino]-3-Oxopropyl}-3-{[(5-Isopropyl-4,5,6,7-Tetrahydro[1,3]Thiazolo[5,4-C]Pyridin-2-Yl)Carbonyl]Amino}Benzoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C26H27ClN4O4S
IUPAC Name 4-[3-(4-chloroanilino)-3-oxo-propyl]-3-[(5-isopropyl-6,7-dihydro-4h-thiazolo[5,4-c]pyridine-2-carbonyl)amino]benzoic acid
Molecular Mass 527.035 g·mol−1
Heat of Formation -469.0 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 602.94 Å 3
Surface Area 520.44 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
InChIKey FQNIFNHOEQFSHE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S