الاسم: tert-butyl (2S)-2-[(4-{[(3,4-dichlorophenyl)amino]-carbonyl}piperazin-1-yl)methyl]morpholine-4-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1Molecular Processing
Molecular formula
C21H30Cl2N4O4
Molecular weight
473.4
Exact mass
472.1644
XLogP
3.78
TPSA
74.35
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
121.04
Supplementary Information
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