CC(C)N1CCC(NC(=O)c2nc3c(C(=O)OCCO)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
SMILES: CC(C)N1CCC(NC(=O)c2nc3c(C(=O)OCCO)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

Molecular Processing

Molecular formula
C27H30ClN5O5S
Molecular weight
572.09
Exact mass
571.1656
XLogP
4.21
TPSA
122.72
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
39
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
148.23

Supplementary Information

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