Name: (3R,4S)-4-amino-1-(cyclopentyloxy)-5-phenyl-1-(6-quinoxalinylsulfonyl)-3-pentanol
SMILES:
N[C@@H](Cc1ccccc1)[C@H](O)CC(OC1CCCC1)S(=O)(=O)c1ccc2nccnc2c1Molecular Processing
Molecular formula
C24H29N3O4S
Molecular weight
455.58
Exact mass
455.1879
XLogP
3.01
TPSA
115.4
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
122.6
Supplementary Information
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