이름: title compound
SMILES:
C=CCCC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)CMolecular Processing
Molecular formula
C28H34N2O5S
Molecular weight
510.66
Exact mass
510.2188
XLogP
3.62
TPSA
106.94
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
141.86
Supplementary Information
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