이름: product
SMILES:
CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1Molecular Processing
Molecular formula
C34H37N3O5S
Molecular weight
599.75
Exact mass
599.2454
XLogP
6.95
TPSA
99.11
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
43
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
169.12
Supplementary Information
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