Name: (2S)-2-[[2-butyl-5-chloro-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenylpropanoic acid
SMILES:
CCCCC1=NC(=C(N1CC2=CC=CC=C2Cl)CNC(CC3=CC=CC=C3)C(=O)O)ClMolecular Processing
Molecular formula
C24H27Cl2N3O2
Molecular weight
460.41
Exact mass
459.148
XLogP
5.37
TPSA
67.15
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
124.81
Supplementary Information
InChIKey: KDHMHUJRPNSQBU-FQEVSTJZSA-N
Synonyme
SCHEMBL9208785KDHMHUJRPNSQBU-FQEVSTJZSA-NN-[{1-[(2 chlorophenyl)methyl]-2-n-butyl-4-chloro-1H-imidazol-5-yl}methyl]phenylalanine
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