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

Molecular Processing

Molecular formula
C26H37N3O3S
Molecular weight
471.67
Exact mass
471.2556
XLogP
4.97
TPSA
82.53
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
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
0.731
Molar refractivity
130.81

Supplementary Information

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