SMILES:
CSC1OC(C(NC(=O)C2CCC(CCCC#N)CCN2Cc2oc(=O)oc2C)C(C)Cl)C(O)C(O)C1OMolecular Processing
Molecular formula
C25H38ClN3O8S
Molecular weight
576.11
Exact mass
575.2068
XLogP
1.49
TPSA
169.4
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
38
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
140.43
Supplementary Information
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