SMILES:
CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)s3)cc2)C(=O)O1Molecular Processing
Molecular formula
C20H21N3O5S
Molecular weight
415.47
Exact mass
415.1202
XLogP
2.36
TPSA
100.46
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.17
Supplementary Information
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