이름: (E)-3-(2-bromo-phenoxy)-4-{1-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-ylcarbamoyl]-2-(tetrahydro-pyran-4-yl)-ethylamino}-but-2-enoic acid ethyl ester
SMILES:
CCOC(=O)/C=C(\CNC(CC1CCOCC1)C(=O)Nc1ccn(CC(C)(C)O)n1)Oc1ccccc1BrMolecular Processing
Molecular formula
C27H37BrN4O6
Molecular weight
593.52
Exact mass
592.1896
XLogP
3.66
TPSA
123.94
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
13
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
146.59
Supplementary Information
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