이름: 3-(benzyloxy)-10-(((benzyloxy)carbonyl)amino)-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylic acid
SMILES:
O=C(NC12CCC(CC1)Cn1c2nc(C(=O)O)c(OCc2ccccc2)c1=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H27N3O6
Molecular weight
489.53
Exact mass
489.19
XLogP
3.85
TPSA
119.75
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
129.63
Supplementary Information
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