CCCCO[C@@H]1CN(c2ncc(C(=O)O)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1
SMILES: CCCCO[C@@H]1CN(c2ncc(C(=O)O)s2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1

Molecular Processing

Molecular formula
C19H26ClN5O4S
Molecular weight
455.97
Exact mass
455.1394
XLogP
2.97
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
114.78

Supplementary Information

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