CCOC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)N
이름: ethyl 3-[[3-(3-aminophenyl)phenyl]sulfonylamino]-3-phenylpropanoate
SMILES: CCOC(=O)CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)N

Molecular Processing

Molecular formula
C23H24N2O4S
Molecular weight
424.52
Exact mass
424.1457
XLogP
3.91
TPSA
98.49
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
117.04

Supplementary Information

InChIKey: LGMGGTAIHSSTEG-UHFFFAOYSA-N
동의어
SCHEMBL5878081LGMGGTAIHSSTEG-UHFFFAOYSA-Nethyl 3-{[(3'-amino[1,1'-biphenyl]-3-yl)sulfonyl]amino}-3-phenyl-propanoate
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