الاسم: 4-hydroxy-1-methyl-pyrrolidine-2-carboxylic acid [4-(2-diethylamino-ethylcarbamoyl)-2-iodo-5-methoxy-phenyl]-amide
SMILES:
CCN(CC)CCNC(=O)c1cc(I)c(NC(=O)C2CC(O)CN2C)cc1OCMolecular Processing
Molecular formula
C20H31IN4O4
Molecular weight
518.4
Exact mass
518.139
XLogP
1.37
TPSA
94.14
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
121.5
Supplementary Information
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