이름: benzyl (2-((4-fluorobenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate
SMILES:
O=C(NC12CCC(CC1)Cn1c2nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H27FN4O5
Molecular weight
506.53
Exact mass
506.1965
XLogP
3.34
TPSA
122.55
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
131.13
Supplementary Information
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