CCN(CCCCCC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CCO
Nom: N-[4-[5-[ethyl(2-hydroxyethyl)amino]pentyl]cyclohexyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
SMILES: CCN(CCCCCC1CCC(CC1)N(C)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CCO

Molecular Processing

Molecular formula
C23H37F3N2O3S
Molecular weight
478.62
Exact mass
478.2477
XLogP
4.76
TPSA
60.85
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
12
Heavy atoms
32
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.739
Molar refractivity
119.81

Supplementary Information

InChIKey: OCRKFUIPATUNNJ-UHFFFAOYSA-N
Synonymes
CHEMBL473035N-(4-(5-(ethyl(2-hydroxyethyl)amino)pentyl)cyclohexyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide fumarateSCHEMBL4796822SCHEMBL4796825SCHEMBL4804154CHEMBL1186626OCRKFUIPATUNNJ-UHFFFAOYSA-NBDBM50255430trans-N-(4-{5-[Ethyl-(2-hydroxy-ethyl)-amino]-pentyl}-cyclohexyl)-N-methyl-4-trifluoromethyl-benzenesulfonamide
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→