COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)C(=O)OC(C)(C)C)c(SC)nn12
SMILES: COc1cc(C)cc(C)c1-c1cccc2c(N(CC3CC3)C(=O)OC(C)(C)C)c(SC)nn12

Molecular Processing

Molecular formula
C26H33N3O3S
Molecular weight
467.64
Exact mass
467.2243
XLogP
6.5
TPSA
56.07
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
134.74

Supplementary Information

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