CC1=C(C(=C2C=C(C=CC2=N1)Br)N3CCOCC3)S(=O)(=O)C
名称: 4-(6-bromo-2-methyl-3-methylsulfonylquinolin-4-yl)morpholine
SMILES: CC1=C(C(=C2C=C(C=CC2=N1)Br)N3CCOCC3)S(=O)(=O)C

Molecular Processing

Molecular formula
C15H17BrN2O3S
Molecular weight
385.28
Exact mass
384.0143
XLogP
2.55
TPSA
59.5
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
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
0.4
Molar refractivity
90.32

Supplementary Information

InChIKey: HCPRZCRLQTXAPK-UHFFFAOYSA-N
同義語
SCHEMBL3546531HCPRZCRLQTXAPK-UHFFFAOYSA-N6-Bromo-3-methanesulfonyl-2-methyl-4-morpholin-4-yl-quinoline
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