이름: methyl 2-(5-bromo-4-(1-cyclopropylnaphthalen-4-yl)-4H-1,2,4-triazol-3-ylthio)acetate
SMILES:
COC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12Molecular Processing
Molecular formula
C18H16BrN3O2S
Molecular weight
418.32
Exact mass
417.0147
XLogP
4.33
TPSA
57.01
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
101.28
Supplementary Information
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