이름: 3-(4-chlorophenyl)-N-(2,2-diethoxyethyl)-N-isopropyl-2-[3-(4-methoxybenzenesulfonylamino)propionylamino]propionamide
SMILES:
CCOC(CN(C(=O)C(Cc1ccc(Cl)cc1)NC(=O)CCNS(=O)(=O)c1ccc(OC)cc1)C(C)C)OCCMolecular Processing
Molecular formula
C28H40ClN3O7S
Molecular weight
598.16
Exact mass
597.2275
XLogP
3.38
TPSA
123.27
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
40
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
153.78
Supplementary Information
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