N-[2-({2-Amino-6-Ethyl-5-[4-(3-Methoxypropyl)-2,2-Dimethyl-3-Oxo-3,4-Dihydro-2H-1,4-Benzoxazin-6-Yl]-4-Pyrimidinyl}Amino)Ethyl]-2-Naphthalenesulfonamide

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Properties Simple | Detailed

Formula C32H38N6O5S
IUPAC Name n-[2-[[2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-4-yl]amino]ethyl]naphthalene-2-sulfonamide
Molecular Mass 618.746 g·mol−1
Heat of Formation -641.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 722.52 Å 3
Surface Area 514.26 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.92 ± eV
Point Group Symmetry C1
Synonyms
  • lix
  • n-[2-[[2-amino-6-ethyl-5-[3-keto-4-(3-methoxypropyl)-2,2-dimethyl-1,4-benzoxazin-6-yl]pyrimidin-4-yl]amino]ethyl]naphthalene-2-sulfonamide
  • n-[2-[[2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-pyrimidinyl]amino]ethyl]-2-naphthalenesulfonamide
  • n-[2-[[2-amino-6-ethyl-5-[4-(3-methoxypropyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]pyrimidin-4-yl]amino]ethyl]naphthalene-2-sulfonamide
InChIKey RRWBDAPAGFVYPT-UHFFFAOYSA-N
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