이름: benzyl(3-(benzyloxy)-2-((1-cyano-2-(4-fluorophenyl)ethyl)carbamoyl)-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)carbamate
SMILES:
N#CC(Cc1ccc(F)cc1)NC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CC1CCC2(NC(=O)OCc2ccccc2)CC1Molecular Processing
Molecular formula
C36H34FN5O5
Molecular weight
635.7
Exact mass
635.2544
XLogP
5.15
TPSA
135.34
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
47
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.306
Molar refractivity
169.64
Supplementary Information
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