名称: 2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]acetic acid
SMILES:
CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)OMolecular Processing
Molecular formula
C15H17ClN2O2S
Molecular weight
324.83
Exact mass
324.0699
XLogP
3.71
TPSA
55.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
21
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
0.333
Molar refractivity
85.14
Supplementary Information
InChIKey: WUJIWPXWTACMEQ-UHFFFAOYSA-N
同義語
SCHEMBL7054174WUJIWPXWTACMEQ-UHFFFAOYSA-N1-(2-chlorophenyl)methyl-5-carboxymethyl-2-propylthio-1H-imidazole5-carboxymethyl-1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazole2-[1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazol-5-yl]acetic acid2-[1-{(2-chlorophenyl)methyl}-2-propylthio-1H-imidazol-5-yl]acetic acid5-carboxymethyl-1-1-(2-chloro-phenyl) methyl-2-propylthio-1H-imidazole5-carboxymethyl-1-1-(2-chloro-phenyl)methyl-2-propylthio-1H-imidazole5-carboxymethyl-1-1-(2-chlorophenyl)methyl-2-propylthio-1H-imidazole
22 件の反応に参加→