COCC1(C(=O)O)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
Name: intermediate 23b
SMILES: COCC1(C(=O)O)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21

Molecular Processing

Molecular formula
C18H19N3O6
Molecular weight
373.37
Exact mass
373.1274
XLogP
1.36
TPSA
119.75
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
94.55

Supplementary Information

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