COc1ccc2c(OCc3nnc4ccc(C(=O)NC5CCN(C(=O)OC(C)(C)C)C5)cn34)ccnc2c1
SMILES: COc1ccc2c(OCc3nnc4ccc(C(=O)NC5CCN(C(=O)OC(C)(C)C)C5)cn34)ccnc2c1

Molecular Processing

Molecular formula
C27H30N6O5
Molecular weight
518.57
Exact mass
518.2278
XLogP
3.6
TPSA
120.18
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.37
Molar refractivity
139.29

Supplementary Information

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