COc1cccc(C(=N)Nc2c(C(C)C)cc(Br)cc2C(C)C)c1
名称: N-(4-bromo-2,6-diisopropylphenyl)-3-methoxybenzimidamide
SMILES: COc1cccc(C(=N)Nc2c(C(C)C)cc(Br)cc2C(C)C)c1

Molecular Processing

Molecular formula
C20H25BrN2O
Molecular weight
389.34
Exact mass
388.115
XLogP
6.14
TPSA
45.11
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
105.77

Supplementary Information

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