이름: tert-butyl {4-[({[(1-methyl-1H-tetrazol-5-yl)(phenyl)methylene]amino}oxy)methyl]-1,3-thiazol-2-yl}carbamate
SMILES:
Cn1nnnc1C(=NOCc1csc(NC(=O)OC(C)(C)C)n1)c1ccccc1Molecular Processing
Molecular formula
C18H21N7O3S
Molecular weight
415.48
Exact mass
415.1427
XLogP
2.98
TPSA
116.41
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
107.64
Supplementary Information
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