CCCSc1nc(N2CCCC(CC(=O)OC)C2)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2
SMILES: CCCSc1nc(N2CCCC(CC(=O)OC)C2)ccc1C(=O)NC12CC3CC(CC(C3)C1)C2

Molecular Processing

Molecular formula
C27H39N3O3S
Molecular weight
485.69
Exact mass
485.2712
XLogP
5.06
TPSA
71.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.741
Molar refractivity
135.19

Supplementary Information

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