الاسم: 5-(5-{[(2R)-2-(hydroxymethyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
SMILES:
CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN5CCC[C@@H]5CO)c4)cc23)CC1Molecular Processing
Molecular formula
C27H36N4O4S2
Molecular weight
544.74
Exact mass
544.2178
XLogP
3.87
TPSA
119.73
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
148.25
Supplementary Information
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