CCOC(=O)c1ccc(CCCC2SC(C)(C)C(=O)N2CCC2(O)CCCCC2)cc1
SMILES: CCOC(=O)c1ccc(CCCC2SC(C)(C)C(=O)N2CCC2(O)CCCCC2)cc1

Molecular Processing

Molecular formula
C25H37NO4S
Molecular weight
447.64
Exact mass
447.2443
XLogP
4.95
TPSA
66.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
125.16

Supplementary Information

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