SMILES:
CCc1[nH]c(C(=O)Nc2ccc3c(c2)OCCN3Cc2cccc(C(=O)O)c2)nc1ClMolecular Processing
Molecular formula
C22H21ClN4O4
Molecular weight
440.89
Exact mass
440.1251
XLogP
3.98
TPSA
107.55
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
117.32
Supplementary Information
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