CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(C(=O)NCC(C)(C)N)cc2OCC3)c(Cl)c1
SMILES: CN(C)C(=O)c1ccc(N(C)C(=O)c2cc3c(s2)-c2ccc(C(=O)NCC(C)(C)N)cc2OCC3)c(Cl)c1

Molecular Processing

Molecular formula
C28H31ClN4O4S
Molecular weight
555.1
Exact mass
554.1755
XLogP
4.45
TPSA
104.97
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
151.76

Supplementary Information

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