名称: 5-methyl-3,6-dioxo-1-phenyl-2-oxa-4,7,11-triazatridecan-13-oate
SMILES:
COc1ccc(Cn2c(=O)ccn([C@@H]3OC([C@H](O)[C@H](NCCCNC(=O)[C@H](C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1Molecular Processing
Molecular formula
C49H77N5O12Si2
Molecular weight
984.35
Exact mass
983.5107
XLogP
6.23
TPSA
206.91
H-bond donors
4
H-bond acceptors
13
Rotatable bonds
20
Heavy atoms
68
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
7
Undefined stereo
1
Formal charge
0
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.612
Molar refractivity
265.6
Supplementary Information
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