이름: 5-[(1-tert-butoxycarbonyl-2-propyl-pyrrolidin-2-yl)-hydroxy-methyl]-indole-1-carboxylic acid tert-butyl ester
SMILES:
CCCC1(C(O)c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CCCN1C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C26H38N2O5
Molecular weight
458.6
Exact mass
458.2781
XLogP
6.03
TPSA
81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
128.34
Supplementary Information
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