이름: (E)-4-bromo-3-[3-(2-hydroxy-2-methyl-propyl)-phenoxy]-but-2-enoic acid ethyl ester
SMILES:
CC(C)C[C@@H](C(=O)Nc1ccn(C)n1)N1CC(Oc2cccc(CC(C)(C)O)c2)=CC1=OMolecular Processing
Molecular formula
C24H32N4O4
Molecular weight
440.54
Exact mass
440.2424
XLogP
2.89
TPSA
96.69
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
121.95
Supplementary Information
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