이름: N-(2-carbomethoxy-5-tert-butyl-3-thienyl)-N′-(2-nitrophenyl)urea
SMILES:
COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H19N3O5S
Molecular weight
377.42
Exact mass
377.1045
XLogP
4.38
TPSA
110.57
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
100.1
Supplementary Information
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