이름: tert-butyl N-[4-fluoro-2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILES:
CC(C)(C)OC(=O)N(C1=C(N=C(S1)C2=CC(=CN=C2)F)F)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C18H21F2N3O4S
Molecular weight
413.45
Exact mass
413.1221
XLogP
5.16
TPSA
81.62
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
100.21
Supplementary Information
InChIKey: CABPCHHSVDWDBZ-UHFFFAOYSA-N
동의어
SCHEMBL298497CABPCHHSVDWDBZ-UHFFFAOYSA-Ndi(tert-butyl) 4-fluoro-2-(5-fluoropyridin-3-yl)-1,3-thiazol-5-ylimidodicarbonate
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