CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(N(CC(=O)O)S(C)(=O)=O)c1ccccc12
SMILES: CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)CC(N(CC(=O)O)S(C)(=O)=O)c1ccccc12

Molecular Processing

Molecular formula
C31H39N5O6S
Molecular weight
609.75
Exact mass
609.2621
XLogP
2.28
TPSA
165.9
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.452
Molar refractivity
162.68

Supplementary Information

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