名称: 3-(2,3-Dichloro-phenoxy)-4-{(1S,3R)-3-ethoxy-1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-butylamino}-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)C=C(CN[C@@H](C[C@@H](C)OCC)C(=O)Nc1ccn(CC(C)(C)O)n1)Oc1cccc(Cl)c1ClMolecular Processing
Molecular formula
C26H36Cl2N4O6
Molecular weight
571.5
Exact mass
570.2012
XLogP
4.2
TPSA
123.94
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
15
Heavy atoms
38
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
146.46
Supplementary Information
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