이름: Ethyl{2-[5-{[5-(methylsulfonyl)pyridin-2-yl]oxy}-7-(tetrahydro-2H-pyran-4-yloxy)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl}acetate
SMILES:
CCOC(=O)CC1CN=C(c2cc3cc(Oc4ccc(S(C)(=O)=O)cn4)cc(OC4CCOCC4)c3[nH]2)S1Molecular Processing
Molecular formula
C26H29N3O7S2
Molecular weight
559.67
Exact mass
559.1447
XLogP
4.13
TPSA
129.17
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
144.22
Supplementary Information
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