2-[(4-Isopropyl-6-Methoxy-1,1-Dioxido-3-Oxo-1,2-Benzothiazol-2(3H)-Yl)Methoxy]-9-[2-(1-Piperidinyl)Ethoxy]-4H-Pyrido[1,2-A]Pyrimidin-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C27H32N4O7S
IUPAC Name 4-isopropyl-6-methoxy-1,1-dioxo-2-[[4-oxo-9-[2-(1-piperidyl)ethoxy]pyrido[1,2-a]pyrimidin-2-yl]oxymethyl]-1,2-benzothiazol-3-one
Molecular Mass 556.631 g·mol−1
Heat of Formation -917.5 ± 16.7 kJ·mol−1
Dipole Moment 7.13 ± 1.08 D
Volume 630.07 Å 3
Surface Area 486.67 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(4-isopropyl-1,1,3-triketo-6-methoxy-1,2-benzothiazol-2-yl)methoxy]-9-(2-piperidinoethoxy)pyrido[2,1-b]pyrimidin-4-one
  • 2-[(4-isopropyl-6-methoxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)methoxy]-9-[2-(1-piperidyl)ethoxy]-4-pyrido[2,1-b]pyrimidinone
  • 2-[(4-isopropyl-6-methoxy-1,1,3-trioxo-1,2-benzothiazol-2-yl)methoxy]-9-[2-(1-piperidyl)ethoxy]pyrido[2,1-b]pyrimidin-4-one
  • 2-[(6-methoxy-1,1,3-trioxo-4-propan-2-yl-1,2-benzothiazol-2-yl)methoxy]-9-(2-piperidin-1-ylethoxy)pyrido[2,1-b]pyrimidin-4-one
InChIKey DRZXDZYWZSKFDL-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N