COC(=O)C1CC1c1ccc(OCc2ccc(CN(CCC(C)C)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1
SMILES: COC(=O)C1CC1c1ccc(OCc2ccc(CN(CCC(C)C)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1

Molecular Processing

Molecular formula
C34H35F3N2O3S
Molecular weight
608.73
Exact mass
608.232
XLogP
8.74
TPSA
51.66
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
163.14

Supplementary Information

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