SMILES:
Cl.N=C(N)c1ccc(CCc2nc3cc(C(=O)N(CCC(=O)O)c4ccccc4)ccc3s2)cc1Molecular Processing
Molecular formula
C26H25ClN4O3S
Molecular weight
509.03
Exact mass
508.1336
XLogP
4.91
TPSA
120.37
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.154
Molar refractivity
142.11
Supplementary Information
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