Name: 3-(pyridin-3-yl)-7-[1-carboethoxymethyl-6-(4-fluorophenyl)indol-3-ylcarbonyl]-1H,3H-pyrrolo[1,2-c]thiazole
SMILES:
CCOC(=O)Cn1cc(C(=O)c2ccn3c2CSC3c2cccnc2)c2ccc(-c3ccc(F)cc3)cc21Molecular Processing
Molecular formula
C30H24FN3O3S
Molecular weight
525.61
Exact mass
525.1522
XLogP
6.23
TPSA
66.12
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
38
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
145.5
Supplementary Information
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