이름: 1-benzyl 3-tert.butyl 2-(3-bromo-2-bromomethyl-propanoyl)-hexahydropyridazine-1,3-dicarboxylate
SMILES:
CC(C)(C)OC(=O)C1CCCN(C(=O)OCc2ccccc2)N1C(=O)C(CBr)CBrMolecular Processing
Molecular formula
C21H28Br2N2O5
Molecular weight
548.27
Exact mass
546.0365
XLogP
4.28
TPSA
76.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
120.12
Supplementary Information
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