Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H](CC(=O)O)CC(C)C
SMILES: Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H](CC(=O)O)CC(C)C

Molecular Processing

Molecular formula
C23H33N3O4
Molecular weight
415.53
Exact mass
415.2471
XLogP
4.22
TPSA
92.93
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.609
Molar refractivity
114.96

Supplementary Information

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