Name: 2-[4-(tert-butoxycarbonyl)piperazin-1-yl]benzoxazole-4-carboxylic acid
SMILES:
CC(C)(C)OC(=O)N1CCN(c2nc3c(C(=O)O)cccc3o2)CC1Molecular Processing
Molecular formula
C17H21N3O5
Molecular weight
347.37
Exact mass
347.1481
XLogP
2.58
TPSA
96.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
90.99
Supplementary Information
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