이름: ethyl {2-[7-(1-methylethoxy)-5-{[5-(methylsulfonyl)pyridin-2-yl]oxy}-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(OC(C)C)c3[nH]2)S1Molecular Processing
Molecular formula
C24H27N3O6S2
Molecular weight
517.63
Exact mass
517.1341
XLogP
4.36
TPSA
119.94
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
135.52
Supplementary Information
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