이름: benzyl(3-(benzyloxy)-2-(4-chloro-5-(4-fluorobenzyl)-1H-imidazol-2-yl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate
SMILES:
O=C(NC12CCC(CC1)Cn1c2nc(-c2nc(Cl)c(Cc3ccc(F)cc3)[nH]2)c(OCc2ccccc2)c1=O)OCc1ccccc1Molecular Processing
Molecular formula
C36H33ClFN5O4
Molecular weight
654.14
Exact mass
653.2205
XLogP
6.92
TPSA
111.13
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
47
Rings
8
Aromatic rings
5
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
174.47
Supplementary Information
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