COC(=O)C(CSC(CNCC1CC1)c1ccccc1)NC(=O)OC(C)(C)C
SMILES: COC(=O)C(CSC(CNCC1CC1)c1ccccc1)NC(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C21H32N2O4S
Molecular weight
408.56
Exact mass
408.2083
XLogP
3.53
TPSA
76.66
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
112.41

Supplementary Information

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