(1R,3S)-N-{2-[(Cyclopentylcarbonyl)Amino]-1,3-Benzothiazol-6-Yl}-3-[(2-Naphthylmethyl)Amino]Cyclohexanecarboxamide

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Properties Simple | Detailed

Formula C31H34N4O2S
IUPAC Name (1r,3s)-n-[2-(cyclopentanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexanecarboxamide
Molecular Mass 526.692 g·mol−1
Heat of Formation -60.3 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 631.56 Å 3
Surface Area 559.22 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3s)-n-[2-(cyclopentanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)cyclohexane-1-carboxamide
  • (1r,3s)-n-[2-(cyclopentanecarbonylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide
  • (1r,3s)-n-[2-(cyclopentylcarbonylamino)-1,3-benzothiazol-6-yl]-3-(naphthalen-2-ylmethylamino)cyclohexane-1-carboxamide
  • (1r,3s)-n-[2-[(cyclopentyl-oxomethyl)amino]-1,3-benzothiazol-6-yl]-3-(2-naphthylmethylamino)-1-cyclohexanecarboxamide
  • (1r,3s)-n-{2-[(cyclopenthylcarbonyl)amino]-benzothiazol-6-yl}-3-[(2-naphthylmethyl)amino] cyclohexanecarboxamide
  • ftr1335
InChIKey DJBPAGGSUSAEKT-RPBOFIJWSA-N
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