CAS: 952674-75-8
Name: 2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazole-5-sulfonyl chloride
SMILES:
CC(C)(C)C1=NC2=C(N1CC3CCOCC3)C=CC(=C2)S(=O)(=O)ClMolecular Processing
Molecular formula
C17H23ClN2O3S
Molecular weight
370.9
Exact mass
370.1118
XLogP
3.69
TPSA
61.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
95.01
Supplementary Information
InChIKey: AIPDIWWGQWZYJA-UHFFFAOYSA-N
Synonyme
2-tert-Butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole-5-sulfonyl chlorideSCHEMBL1608701AIPDIWWGQWZYJA-UHFFFAOYSA-N952674-75-8DB-338752
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