2-Chloro-N-[(1-Hydroxycycloheptyl)Methyl]-5-{4-[(2R)-2-Hydroxy-3-Methoxypropyl]-3,5-Dioxo-4,5-Dihydro-1,2,4-Triazin-2(3H)-Yl}Benzamide

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Properties Simple | Detailed

Formula C22H29ClN4O6
IUPAC Name 2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
Molecular Mass 480.942 g·mol−1
Heat of Formation -966.9 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 556.87 Å 3
Surface Area 436.74 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-diketo-1,2,4-triazin-2-yl]benzamide
  • 2-chloro-n-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2r)-2-hydroxy-3-methoxy-propyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide
InChIKey FUCKCIVGBCBZNP-MRXNPFEDSA-N
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Elements H C N O Cl