Название: 6-(4-chlorobenzyl)-1-(2-methoxy-5-chlorobenzenesulfonyl)-3-amino-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione
SMILES:
COc1ccc(Cl)cc1S(=O)(=O)N1CC(N)C(=O)N2C(Cc3ccc(Cl)cc3)C(=O)N(C(C)C)CC21Molecular Processing
Molecular formula
C24H28Cl2N4O5S
Molecular weight
555.48
Exact mass
554.1157
XLogP
2.35
TPSA
113.25
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
136.3
Supplementary Information
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