Cc1ccc(S(=O)(=O)N2CCc3cc(C#CCCCO)c(F)cc32)cc1
Name: 5-[6-fluoro-1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]pent-4-yn-1-ol
SMILES: Cc1ccc(S(=O)(=O)N2CCc3cc(C#CCCCO)c(F)cc32)cc1

Molecular Processing

Molecular formula
C20H20FNO3S
Molecular weight
373.45
Exact mass
373.1148
XLogP
3.01
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
99.01

Supplementary Information

InChIKey: YBRGNZVUPOFUNF-UHFFFAOYSA-N
Synonyme
SCHEMBL5638047YBRGNZVUPOFUNF-UHFFFAOYSA-N5-[6-Fluoro-1-(toluene-4-sulfonyl)-2,3-dihydro -1H-indol-5-yl]-pent-4-yn-1-ol5-[6-Fluoro-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-indol-5-yl]-pent-4-yn-1-ol
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