7-(4-{[(4-{[(2R)-4-(Dimethylamino)-1-(Phenylsulfanyl)-2-Butanyl]Amino}-3-Nitrophenyl)Sulfonyl]Carbamoyl}-2-Methylphenyl)-3-[3-(1-Naphthyloxy)Propyl]Pyrazolo[1,5-A]Pyridine-2-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C47H47N6O8S2+
IUPAC Name 7-[4-[[4-[[(1r)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonylcarbamoyl]-2-methyl-phenyl]-3-[3-(1-naphthyloxy)propyl]pyrazolo[1,5-a]pyridin-8-ium-2-carboxylic acid
Molecular Mass 888.041 g·mol−1
Heat of Formation -427.7 ± 16.7 kJ·mol−1
Dipole Moment 9.09 ± 1.08 D
Volume 1028.91 Å 3
Surface Area 811.55 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey BNBDPYUSBJEPGX-UUWRZZSWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N