名称: 4-methyl-N-[2-(6-bromo-1,2,3,4-tetrahydro-1-quinolinyl)phenyl]piperazine-carboxamide
SMILES:
CN1CCN(C(=O)Nc2ccccc2N2CCCc3cc(Br)ccc32)CC1Molecular Processing
Molecular formula
C21H25BrN4O
Molecular weight
429.36
Exact mass
428.1212
XLogP
4.31
TPSA
38.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
114
Supplementary Information
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