الاسم: methyl 4-(4-bromo-1-methyl-1H-pyrazol-5-yl)-5-propyl-2-thiophenecarboxylate
SMILES:
CCCc1sc(C(=O)OC)cc1-c1c(Br)cnn1CMolecular Processing
Molecular formula
C13H15BrN2O2S
Molecular weight
343.25
Exact mass
342.0038
XLogP
3.65
TPSA
44.12
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
79.56
Supplementary Information
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