Clc1ncc(COCC2COC3(CCN(CCc4ccccc4)CC3)O2)s1
SMILES: Clc1ncc(COCC2COC3(CCN(CCc4ccccc4)CC3)O2)s1

Molecular Processing

Molecular formula
C20H25ClN2O3S
Molecular weight
408.95
Exact mass
408.1274
XLogP
3.76
TPSA
43.82
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
106.16

Supplementary Information

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