CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1
SMILES: CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1

Molecular Processing

Molecular formula
C21H29N3O4S
Molecular weight
419.55
Exact mass
419.1879
XLogP
2.29
TPSA
82.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
113.22

Supplementary Information

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