COC1=CC(=C(C=C1)Cl)OC2=C(N=CN=C2OCCO)NS(=O)(=O)NCC3=CC=CC=C3
이름: 2-[6-(benzylsulfamoylamino)-5-(2-chloro-5-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
SMILES: COC1=CC(=C(C=C1)Cl)OC2=C(N=CN=C2OCCO)NS(=O)(=O)NCC3=CC=CC=C3

Molecular Processing

Molecular formula
C20H21ClN4O6S
Molecular weight
480.93
Exact mass
480.087
XLogP
2.75
TPSA
131.9
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
11
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
118.52

Supplementary Information

InChIKey: LRZQVKGTIRLGRX-UHFFFAOYSA-N
동의어
SCHEMBL14380740LRZQVKGTIRLGRX-UHFFFAOYSA-Nbenzylsulfamic acid [5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy) pyrimidin-4-yl]-amidebenzylsulfamic acid [5-(2-chloro-5-methoxy-phenoxy)-6-(2-hydroxy-ethoxy)-pyrimidin-4-yl]-amide
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